N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-2-amine;4-[4-(9,9-diphenylfluoren-2-yl)-N-(9-phenylcarbazol-2-yl)anilino]benzonitrile

C175H120N8 — CID 160561696

IUPACN-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-2-amine;4-[4-(9,9-diphenylfluoren-2-yl)-N-(9-phenylcarbazol-2-yl)anilino]benzonitrile
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc21.N#Cc1ccc(N(c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.c1ccc(-n2c3ccccc3c3ccc(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc32)cc1
InChIInChI=1S/C61H41N3.C58H42N2.C56H37N3/c1-4-18-42(19-5-1)61(43-20-6-2-7-21-43)55-28-14-10-24-49(55)50-38-36-47(40-56(50)61)62(45-32-34-46(35-33-45)63-57-29-15-11-25-51(57)52-26-12-16-30-58(52)63)48-37-39-54-53-27-13-17-31-59(53)64(60(54)41-48)44-22-8-3-9-23-44;1-57(2)51-27-15-12-24-45(51)47-33-30-42(36-53(47)57)59(44-32-35-50-49-26-14-17-29-55(49)60(56(50)38-44)41-22-10-5-11-23-41)43-31-34-48-46-25-13-16-28-52(46)58(54(48)37-43,39-18-6-3-7-19-39)40-20-8-4-9-21-40;57-38-39-24-29-45(30-25-39)58(47-33-35-51-50-21-11-13-23-54(50)59(55(51)37-47)44-18-8-3-9-19-44)46-31-26-40(27-32-46)41-28-34-49-48-20-10-12-22-52(48)56(53(49)36-41,42-14-4-1-5-15-42)43-16-6-2-7-17-43/h1-41H;3-38H,1-2H3;1-37H
InChIKeyQZJYYNZEBWQUKJ-UHFFFAOYSA-N
MW2334.94 g/mol
LogP44.79
Rot. Bonds20

About N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-2-amine;4-[4-(9,9-diphenylfluoren-2-yl)-N-(9-phenylcarbazol-2-yl)anilino]benzonitrile

N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-2-amine;4-[4-(9,9-diphenylfluoren-2-yl)-N-(9-phenylcarbazol-2-yl)anilino]benzonitrile (PubChem CID 160561696) has the molecular formula C175H120N8 and a molecular weight of 2334.94 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-2-amine;4-[4-(9,9-diphenylfluoren-2-yl)-N-(9-phenylcarbazol-2-yl)anilino]benzonitrile.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-2-amine;4-[4-(9,9-diphenylfluoren-2-yl)-N-(9-phenylcarbazol-2-yl)anilino]benzonitrile
PubChem CID160561696
Molecular FormulaC175H120N8
Molecular Weight2334.94 g/mol
Exact Mass2332.96
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-2-amine;4-[4-(9,9-diphenylfluoren-2-yl)-N-(9-phenylcarbazol-2-yl)anilino]benzonitrile
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc21.N#Cc1ccc(N(c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.c1ccc(-n2c3ccccc3c3ccc(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc32)cc1
InChIInChI=1S/C61H41N3.C58H42N2.C56H37N3/c1-4-18-42(19-5-1)61(43-20-6-2-7-21-43)55-28-14-10-24-49(55)50-38-36-47(40-56(50)61)62(45-32-34-46(35-33-45)63-57-29-15-11-25-51(57)52-26-12-16-30-58(52)63)48-37-39-54-53-27-13-17-31-59(53)64(60(54)41-48)44-22-8-3-9-23-44;1-57(2)51-27-15-12-24-45(51)47-33-30-42(36-53(47)57)59(44-32-35-50-49-26-14-17-29-55(49)60(56(50)38-44)41-22-10-5-11-23-41)43-31-34-48-46-25-13-16-28-52(46)58(54(48)37-43,39-18-6-3-7-19-39)40-20-8-4-9-21-40;57-38-39-24-29-45(30-25-39)58(47-33-35-51-50-21-11-13-23-54(50)59(55(51)37-47)44-18-8-3-9-19-44)46-31-26-40(27-32-46)41-28-34-49-48-20-10-12-22-52(48)56(53(49)36-41,42-14-4-1-5-15-42)43-16-6-2-7-17-43/h1-41H;3-38H,1-2H3;1-37H
InChIKeyQZJYYNZEBWQUKJ-UHFFFAOYSA-N
XLogP44.79
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms183
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002334.94
LogP ≤ 544.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-2-amine;4-[4-(9,9-diphenylfluoren-2-yl)-N-(9-phenylcarbazol-2-yl)anilino]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-2-amine;4-[4-(9,9-diphenylfluoren-2-yl)-N-(9-phenylcarbazol-2-yl)anilino]benzonitrile?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-2-amine;4-[4-(9,9-diphenylfluoren-2-yl)-N-(9-phenylcarbazol-2-yl)anilino]benzonitrile (CID 160561696) is N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-2-amine;4-[4-(9,9-diphenylfluoren-2-yl)-N-(9-phenylcarbazol-2-yl)anilino]benzonitrile.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-2-amine;4-[4-(9,9-diphenylfluoren-2-yl)-N-(9-phenylcarbazol-2-yl)anilino]benzonitrile?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-2-amine;4-[4-(9,9-diphenylfluoren-2-yl)-N-(9-phenylcarbazol-2-yl)anilino]benzonitrile is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc21.N#Cc1ccc(N(c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.c1ccc(-n2c3ccccc3c3ccc(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc32)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-2-amine;4-[4-(9,9-diphenylfluoren-2-yl)-N-(9-phenylcarbazol-2-yl)anilino]benzonitrile?
The InChIKey is QZJYYNZEBWQUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41N3.C58H42N2.C56H37N3/c1-4-18-42(19-5-1)61(43-20-6-2-7-21-43)55-28-14-10-24-49(55)50-38-36-47(40-56(50)61)62(45-32-34-46(35-33-45)63-57-29-15-11-25-51(57)52-26-12-16-30-58(52)63)48-37-39-54-53-27-13-17-31-59(53)64(60(54)41-48)44-22-8-3-9-23-44;1-57(2)51-27-15-12-24-45(51)47-33-30-42(36-53(47)57)59(44-32-35-50-49-26-14-17-29-55(49)60(56(50)38-44)41-22-10-5-11-23-41)43-31-34-48-46-25-13-16-28-52(46)58(54(48)37-43,39-18-6-3-7-19-39)40-20-8-4-9-21-40;57-38-39-24-29-45(30-25-39)58(47-33-35-51-50-21-11-13-23-54(50)59(55(51)37-47)44-18-8-3-9-19-44)46-31-26-40(27-32-46)41-28-34-49-48-20-10-12-22-52(48)56(53(49)36-41,42-14-4-1-5-15-42)43-16-6-2-7-17-43/h1-41H;3-38H,1-2H3;1-37H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-2-amine;4-[4-(9,9-diphenylfluoren-2-yl)-N-(9-phenylcarbazol-2-yl)anilino]benzonitrile?
N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-2-amine;4-[4-(9,9-diphenylfluoren-2-yl)-N-(9-phenylcarbazol-2-yl)anilino]benzonitrile has a molecular weight of 2334.94 g/mol, XLogP of 44.79, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-2-amine;4-[4-(9,9-diphenylfluoren-2-yl)-N-(9-phenylcarbazol-2-yl)anilino]benzonitrile is sourced from PubChem (CID 160561696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).