N-(9,9-dimethylfluoren-4-yl)-N-phenanthren-2-ylphenanthren-2-amine;N,N-di(phenanthren-2-yl)phenanthren-2-amine;N-phenanthren-2-yl-N-phenanthren-4-ylphenanthren-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[2-(4-phenylphenyl)phenyl]phenanthren-2-amine

C285H190N6 — CID 163773436

IUPACN-(9,9-dimethylfluoren-4-yl)-N-phenanthren-2-ylphenanthren-2-amine;N,N-di(phenanthren-2-yl)phenanthren-2-amine;N-phenanthren-2-yl-N-phenanthren-4-ylphenanthren-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[2-(4-phenylphenyl)phenyl]phenanthren-2-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc4c(ccc5ccccc54)c3)c3ccc4c(ccc5ccccc54)c3)cccc21.c1ccc(-c2ccc(-c3ccccc3N(c3ccc4c(ccc5ccccc54)c3)c3ccc4c(ccc5ccccc54)c3)cc2)cc1.c1ccc(C2(c3ccc(-c4ccc(N(c5ccc6c(ccc7ccccc76)c5)c5ccc6c(ccc7ccccc76)c5)cc4)cc3)c3ccccc3-c3ccccc32)cc1.c1ccc(C2(c3ccc(N(c4ccc5c(ccc6ccccc65)c4)c4ccc5c(ccc6ccccc65)c4)cc3)c3ccccc3-c3ccccc32)cc1.c1ccc2c(c1)ccc1cc(N(c3ccc4c(ccc5ccccc54)c3)c3ccc4c(ccc5ccccc54)c3)ccc12.c1ccc2c(c1)ccc1cc(N(c3ccc4c(ccc5ccccc54)c3)c3cccc4ccc5ccccc5c34)ccc12
InChIInChI=1S/C59H39N.C53H35N.C46H31N.C43H31N.2C42H27N/c1-2-14-46(15-3-1)59(57-20-10-8-18-55(57)56-19-9-11-21-58(56)59)47-30-26-40(27-31-47)41-28-32-48(33-29-41)60(49-34-36-53-44(38-49)24-22-42-12-4-6-16-51(42)53)50-35-37-54-45(39-50)25-23-43-13-5-7-17-52(43)54;1-2-14-40(15-3-1)53(51-20-10-8-18-49(51)50-19-9-11-21-52(50)53)41-26-28-42(29-27-41)54(43-30-32-47-38(34-43)24-22-36-12-4-6-16-45(36)47)44-31-33-48-39(35-44)25-23-37-13-5-7-17-46(37)48;1-2-10-32(11-3-1)33-18-20-36(21-19-33)45-16-8-9-17-46(45)47(39-26-28-43-37(30-39)24-22-34-12-4-6-14-41(34)43)40-27-29-44-38(31-40)25-23-35-13-5-7-15-42(35)44;1-43(2)39-15-8-7-14-38(39)42-40(43)16-9-17-41(42)44(32-22-24-36-30(26-32)20-18-28-10-3-5-12-34(28)36)33-23-25-37-31(27-33)21-19-29-11-4-6-13-35(29)37;1-4-12-36-28(8-1)17-20-32-26-34(22-24-38(32)36)43(35-23-25-39-33(27-35)21-18-29-9-2-5-13-37(29)39)41-15-7-11-31-19-16-30-10-3-6-14-40(30)42(31)41;1-4-10-37-28(7-1)13-16-31-25-34(19-22-40(31)37)43(35-20-23-41-32(26-35)17-14-29-8-2-5-11-38(29)41)36-21-24-42-33(27-36)18-15-30-9-3-6-12-39(30)42/h1-39H;1-35H;1-31H;3-27H,1-2H3;2*1-27H
InChIKeyMIJIOLJJCQPEET-UHFFFAOYSA-N
MW3698.70 g/mol
LogP79.26
Rot. Bonds25

About N-(9,9-dimethylfluoren-4-yl)-N-phenanthren-2-ylphenanthren-2-amine;N,N-di(phenanthren-2-yl)phenanthren-2-amine;N-phenanthren-2-yl-N-phenanthren-4-ylphenanthren-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[2-(4-phenylphenyl)phenyl]phenanthren-2-amine

N-(9,9-dimethylfluoren-4-yl)-N-phenanthren-2-ylphenanthren-2-amine;N,N-di(phenanthren-2-yl)phenanthren-2-amine;N-phenanthren-2-yl-N-phenanthren-4-ylphenanthren-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[2-(4-phenylphenyl)phenyl]phenanthren-2-amine (PubChem CID 163773436) has the molecular formula C285H190N6 and a molecular weight of 3698.70 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-N-phenanthren-2-ylphenanthren-2-amine;N,N-di(phenanthren-2-yl)phenanthren-2-amine;N-phenanthren-2-yl-N-phenanthren-4-ylphenanthren-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[2-(4-phenylphenyl)phenyl]phenanthren-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-N-phenanthren-2-ylphenanthren-2-amine;N,N-di(phenanthren-2-yl)phenanthren-2-amine;N-phenanthren-2-yl-N-phenanthren-4-ylphenanthren-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[2-(4-phenylphenyl)phenyl]phenanthren-2-amine
PubChem CID163773436
Molecular FormulaC285H190N6
Molecular Weight3698.70 g/mol
Exact Mass3695.51
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-N-phenanthren-2-ylphenanthren-2-amine;N,N-di(phenanthren-2-yl)phenanthren-2-amine;N-phenanthren-2-yl-N-phenanthren-4-ylphenanthren-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[2-(4-phenylphenyl)phenyl]phenanthren-2-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc4c(ccc5ccccc54)c3)c3ccc4c(ccc5ccccc54)c3)cccc21.c1ccc(-c2ccc(-c3ccccc3N(c3ccc4c(ccc5ccccc54)c3)c3ccc4c(ccc5ccccc54)c3)cc2)cc1.c1ccc(C2(c3ccc(-c4ccc(N(c5ccc6c(ccc7ccccc76)c5)c5ccc6c(ccc7ccccc76)c5)cc4)cc3)c3ccccc3-c3ccccc32)cc1.c1ccc(C2(c3ccc(N(c4ccc5c(ccc6ccccc65)c4)c4ccc5c(ccc6ccccc65)c4)cc3)c3ccccc3-c3ccccc32)cc1.c1ccc2c(c1)ccc1cc(N(c3ccc4c(ccc5ccccc54)c3)c3ccc4c(ccc5ccccc54)c3)ccc12.c1ccc2c(c1)ccc1cc(N(c3ccc4c(ccc5ccccc54)c3)c3cccc4ccc5ccccc5c34)ccc12
InChIInChI=1S/C59H39N.C53H35N.C46H31N.C43H31N.2C42H27N/c1-2-14-46(15-3-1)59(57-20-10-8-18-55(57)56-19-9-11-21-58(56)59)47-30-26-40(27-31-47)41-28-32-48(33-29-41)60(49-34-36-53-44(38-49)24-22-42-12-4-6-16-51(42)53)50-35-37-54-45(39-50)25-23-43-13-5-7-17-52(43)54;1-2-14-40(15-3-1)53(51-20-10-8-18-49(51)50-19-9-11-21-52(50)53)41-26-28-42(29-27-41)54(43-30-32-47-38(34-43)24-22-36-12-4-6-16-45(36)47)44-31-33-48-39(35-44)25-23-37-13-5-7-17-46(37)48;1-2-10-32(11-3-1)33-18-20-36(21-19-33)45-16-8-9-17-46(45)47(39-26-28-43-37(30-39)24-22-34-12-4-6-14-41(34)43)40-27-29-44-38(31-40)25-23-35-13-5-7-15-42(35)44;1-43(2)39-15-8-7-14-38(39)42-40(43)16-9-17-41(42)44(32-22-24-36-30(26-32)20-18-28-10-3-5-12-34(28)36)33-23-25-37-31(27-33)21-19-29-11-4-6-13-35(29)37;1-4-12-36-28(8-1)17-20-32-26-34(22-24-38(32)36)43(35-23-25-39-33(27-35)21-18-29-9-2-5-13-37(29)39)41-15-7-11-31-19-16-30-10-3-6-14-40(30)42(31)41;1-4-10-37-28(7-1)13-16-31-25-34(19-22-40(31)37)43(35-20-23-41-32(26-35)17-14-29-8-2-5-11-38(29)41)36-21-24-42-33(27-36)18-15-30-9-3-6-12-39(30)42/h1-39H;1-35H;1-31H;3-27H,1-2H3;2*1-27H
InChIKeyMIJIOLJJCQPEET-UHFFFAOYSA-N
XLogP79.26
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds25
Heavy Atoms291
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003698.70
LogP ≤ 579.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-(9,9-dimethylfluoren-4-yl)-N-phenanthren-2-ylphenanthren-2-amine;N,N-di(phenanthren-2-yl)phenanthren-2-amine;N-phenanthren-2-yl-N-phenanthren-4-ylphenanthren-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[2-(4-phenylphenyl)phenyl]phenanthren-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-phenanthren-2-ylphenanthren-2-amine;N,N-di(phenanthren-2-yl)phenanthren-2-amine;N-phenanthren-2-yl-N-phenanthren-4-ylphenanthren-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[2-(4-phenylphenyl)phenyl]phenanthren-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-phenanthren-2-ylphenanthren-2-amine;N,N-di(phenanthren-2-yl)phenanthren-2-amine;N-phenanthren-2-yl-N-phenanthren-4-ylphenanthren-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[2-(4-phenylphenyl)phenyl]phenanthren-2-amine (CID 163773436) is N-(9,9-dimethylfluoren-4-yl)-N-phenanthren-2-ylphenanthren-2-amine;N,N-di(phenanthren-2-yl)phenanthren-2-amine;N-phenanthren-2-yl-N-phenanthren-4-ylphenanthren-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[2-(4-phenylphenyl)phenyl]phenanthren-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-N-phenanthren-2-ylphenanthren-2-amine;N,N-di(phenanthren-2-yl)phenanthren-2-amine;N-phenanthren-2-yl-N-phenanthren-4-ylphenanthren-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[2-(4-phenylphenyl)phenyl]phenanthren-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-N-phenanthren-2-ylphenanthren-2-amine;N,N-di(phenanthren-2-yl)phenanthren-2-amine;N-phenanthren-2-yl-N-phenanthren-4-ylphenanthren-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[2-(4-phenylphenyl)phenyl]phenanthren-2-amine is CC1(C)c2ccccc2-c2c(N(c3ccc4c(ccc5ccccc54)c3)c3ccc4c(ccc5ccccc54)c3)cccc21.c1ccc(-c2ccc(-c3ccccc3N(c3ccc4c(ccc5ccccc54)c3)c3ccc4c(ccc5ccccc54)c3)cc2)cc1.c1ccc(C2(c3ccc(-c4ccc(N(c5ccc6c(ccc7ccccc76)c5)c5ccc6c(ccc7ccccc76)c5)cc4)cc3)c3ccccc3-c3ccccc32)cc1.c1ccc(C2(c3ccc(N(c4ccc5c(ccc6ccccc65)c4)c4ccc5c(ccc6ccccc65)c4)cc3)c3ccccc3-c3ccccc32)cc1.c1ccc2c(c1)ccc1cc(N(c3ccc4c(ccc5ccccc54)c3)c3ccc4c(ccc5ccccc54)c3)ccc12.c1ccc2c(c1)ccc1cc(N(c3ccc4c(ccc5ccccc54)c3)c3cccc4ccc5ccccc5c34)ccc12.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-N-phenanthren-2-ylphenanthren-2-amine;N,N-di(phenanthren-2-yl)phenanthren-2-amine;N-phenanthren-2-yl-N-phenanthren-4-ylphenanthren-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[2-(4-phenylphenyl)phenyl]phenanthren-2-amine?
The InChIKey is MIJIOLJJCQPEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39N.C53H35N.C46H31N.C43H31N.2C42H27N/c1-2-14-46(15-3-1)59(57-20-10-8-18-55(57)56-19-9-11-21-58(56)59)47-30-26-40(27-31-47)41-28-32-48(33-29-41)60(49-34-36-53-44(38-49)24-22-42-12-4-6-16-51(42)53)50-35-37-54-45(39-50)25-23-43-13-5-7-17-52(43)54;1-2-14-40(15-3-1)53(51-20-10-8-18-49(51)50-19-9-11-21-52(50)53)41-26-28-42(29-27-41)54(43-30-32-47-38(34-43)24-22-36-12-4-6-16-45(36)47)44-31-33-48-39(35-44)25-23-37-13-5-7-17-46(37)48;1-2-10-32(11-3-1)33-18-20-36(21-19-33)45-16-8-9-17-46(45)47(39-26-28-43-37(30-39)24-22-34-12-4-6-14-41(34)43)40-27-29-44-38(31-40)25-23-35-13-5-7-15-42(35)44;1-43(2)39-15-8-7-14-38(39)42-40(43)16-9-17-41(42)44(32-22-24-36-30(26-32)20-18-28-10-3-5-12-34(28)36)33-23-25-37-31(27-33)21-19-29-11-4-6-13-35(29)37;1-4-12-36-28(8-1)17-20-32-26-34(22-24-38(32)36)43(35-23-25-39-33(27-35)21-18-29-9-2-5-13-37(29)39)41-15-7-11-31-19-16-30-10-3-6-14-40(30)42(31)41;1-4-10-37-28(7-1)13-16-31-25-34(19-22-40(31)37)43(35-20-23-41-32(26-35)17-14-29-8-2-5-11-38(29)41)36-21-24-42-33(27-36)18-15-30-9-3-6-12-39(30)42/h1-39H;1-35H;1-31H;3-27H,1-2H3;2*1-27H.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-N-phenanthren-2-ylphenanthren-2-amine;N,N-di(phenanthren-2-yl)phenanthren-2-amine;N-phenanthren-2-yl-N-phenanthren-4-ylphenanthren-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[2-(4-phenylphenyl)phenyl]phenanthren-2-amine?
N-(9,9-dimethylfluoren-4-yl)-N-phenanthren-2-ylphenanthren-2-amine;N,N-di(phenanthren-2-yl)phenanthren-2-amine;N-phenanthren-2-yl-N-phenanthren-4-ylphenanthren-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[2-(4-phenylphenyl)phenyl]phenanthren-2-amine has a molecular weight of 3698.70 g/mol, XLogP of 79.26, 25 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-4-yl)-N-phenanthren-2-ylphenanthren-2-amine;N,N-di(phenanthren-2-yl)phenanthren-2-amine;N-phenanthren-2-yl-N-phenanthren-4-ylphenanthren-2-amine;N-phenanthren-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenanthren-2-amine;N-phenanthren-2-yl-N-[2-(4-phenylphenyl)phenyl]phenanthren-2-amine is sourced from PubChem (CID 163773436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).