N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)phenanthren-9-amine

C145H117N3 — CID 162086645

IUPACN-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)phenanthren-9-amine
SMILESCC(C)(C)c1ccc(-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc4ccccc4c4ccccc34)cc2)cc1.CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc5ccccc5c5ccccc45)cc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5)ccc3-4)c3cc4ccccc4c4ccccc34)cc21
InChIInChI=1S/2C50H39N.C45H39N/c1-49(2)44-19-11-9-16-39(44)41-27-23-33(29-46(41)49)32-21-24-35(25-22-32)51(48-30-34-13-5-6-14-37(34)38-15-7-8-18-43(38)48)36-26-28-42-40-17-10-12-20-45(40)50(3,4)47(42)31-36;1-49(2)44-21-13-12-19-39(44)41-26-23-35(30-46(41)49)51(48-29-34-16-8-9-17-37(34)38-18-10-11-20-43(38)48)36-24-27-42-40-25-22-33(32-14-6-5-7-15-32)28-45(40)50(3,4)47(42)31-36;1-44(2,3)33-22-18-30(19-23-33)31-20-24-34(25-21-31)46(43-28-32-12-6-7-13-36(32)37-14-8-9-16-40(37)43)35-26-27-39-38-15-10-11-17-41(38)45(4,5)42(39)29-35/h2*5-31H,1-4H3;6-29H,1-5H3
InChIKeyZDAZOULMKPXNQG-UHFFFAOYSA-N
MW1901.55 g/mol
LogP40.22
Rot. Bonds12

About N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)phenanthren-9-amine

N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)phenanthren-9-amine (PubChem CID 162086645) has the molecular formula C145H117N3 and a molecular weight of 1901.55 g/mol. Its IUPAC name is N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)phenanthren-9-amine.

Molecular Properties

Compound NameN-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)phenanthren-9-amine
PubChem CID162086645
Molecular FormulaC145H117N3
Molecular Weight1901.55 g/mol
Exact Mass1899.92
IUPAC NameN-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)phenanthren-9-amine
SMILESCC(C)(C)c1ccc(-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc4ccccc4c4ccccc34)cc2)cc1.CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc5ccccc5c5ccccc45)cc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5)ccc3-4)c3cc4ccccc4c4ccccc34)cc21
InChIInChI=1S/2C50H39N.C45H39N/c1-49(2)44-19-11-9-16-39(44)41-27-23-33(29-46(41)49)32-21-24-35(25-22-32)51(48-30-34-13-5-6-14-37(34)38-15-7-8-18-43(38)48)36-26-28-42-40-17-10-12-20-45(40)50(3,4)47(42)31-36;1-49(2)44-21-13-12-19-39(44)41-26-23-35(30-46(41)49)51(48-29-34-16-8-9-17-37(34)38-18-10-11-20-43(38)48)36-24-27-42-40-25-22-33(32-14-6-5-7-15-32)28-45(40)50(3,4)47(42)31-36;1-44(2,3)33-22-18-30(19-23-33)31-20-24-34(25-21-31)46(43-28-32-12-6-7-13-36(32)37-14-8-9-16-40(37)43)35-26-27-39-38-15-10-11-17-41(38)45(4,5)42(39)29-35/h2*5-31H,1-4H3;6-29H,1-5H3
InChIKeyZDAZOULMKPXNQG-UHFFFAOYSA-N
XLogP40.22
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms148
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001901.55
LogP ≤ 540.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)phenanthren-9-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine
CID 134464834
N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304715
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 118428440
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 155305035
N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-phenylphenanthren-9-amine
CID 118428477
N-(9,9-dimethylfluoren-2-yl)-N-(6-phenylnaphthalen-2-yl)phenanthren-9-amine
CID 134464876
N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-(4-methylphenyl)phenanthren-9-amine
CID 118428490
2-N,6-N-bis(4-tert-butylphenyl)-2-N,6-N-diphenyl-9,10-bis(3-phenylphenyl)anthracene-2,6-diamine;N-[4-[12-[4-(N-phenanthren-9-ylanilino)phenyl]chrysen-6-yl]phenyl]-N-phenylphenanthren-9-amine;2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,10-bis(3-phenylphenyl)anthracene-2,6-diamine
CID 159736025
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenanthren-9-amine
CID 134464885
N-(9,9-dimethylfluoren-2-yl)-N-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenanthren-9-amine
CID 134464828
N-(9,9-dimethylfluoren-2-yl)-N-(2-naphthalen-1-yl-4-phenylphenyl)phenanthren-9-amine
CID 155181855
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-phenanthren-9-ylphenyl)-N-phenylfluoren-2-amine
CID 118500370

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)phenanthren-9-amine?
The IUPAC name of N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)phenanthren-9-amine (CID 162086645) is N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)phenanthren-9-amine.
What is the SMILES notation for N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)phenanthren-9-amine?
The canonical SMILES for N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)phenanthren-9-amine is CC(C)(C)c1ccc(-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc4ccccc4c4ccccc34)cc2)cc1.CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc5ccccc5c5ccccc45)cc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5)ccc3-4)c3cc4ccccc4c4ccccc34)cc21.
What is the InChIKey of N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)phenanthren-9-amine?
The InChIKey is ZDAZOULMKPXNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C50H39N.C45H39N/c1-49(2)44-19-11-9-16-39(44)41-27-23-33(29-46(41)49)32-21-24-35(25-22-32)51(48-30-34-13-5-6-14-37(34)38-15-7-8-18-43(38)48)36-26-28-42-40-17-10-12-20-45(40)50(3,4)47(42)31-36;1-49(2)44-21-13-12-19-39(44)41-26-23-35(30-46(41)49)51(48-29-34-16-8-9-17-37(34)38-18-10-11-20-43(38)48)36-24-27-42-40-25-22-33(32-14-6-5-7-15-32)28-45(40)50(3,4)47(42)31-36;1-44(2,3)33-22-18-30(19-23-33)31-20-24-34(25-21-31)46(43-28-32-12-6-7-13-36(32)37-14-8-9-16-40(37)43)35-26-27-39-38-15-10-11-17-41(38)45(4,5)42(39)29-35/h2*5-31H,1-4H3;6-29H,1-5H3.
What are the key properties of N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)phenanthren-9-amine?
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)phenanthren-9-amine has a molecular weight of 1901.55 g/mol, XLogP of 40.22, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)phenanthren-9-amine is sourced from PubChem (CID 162086645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).