N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-N-phenylphenanthren-9-amine

C53H38N2 — CID 129174075

IUPACN-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-N-phenylphenanthren-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc(N(c6ccccc6)c6cc7ccccc7c7ccccc67)cc5)ccc43)cc21
InChIInChI=1S/C53H38N2/c1-53(2)48-22-12-10-19-43(48)44-30-29-40(34-49(44)53)55-50-23-13-11-21-46(50)47-32-36(26-31-51(47)55)35-24-27-39(28-25-35)54(38-15-4-3-5-16-38)52-33-37-14-6-7-17-41(37)42-18-8-9-20-45(42)52/h3-34H,1-2H3
InChIKeyIZMKFFZYSKSHDG-UHFFFAOYSA-N
MW702.90 g/mol
LogP14.53
Rot. Bonds5

About N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-N-phenylphenanthren-9-amine

N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-N-phenylphenanthren-9-amine (PubChem CID 129174075) has the molecular formula C53H38N2 and a molecular weight of 702.90 g/mol. Its IUPAC name is N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-N-phenylphenanthren-9-amine.

Molecular Properties

Compound NameN-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-N-phenylphenanthren-9-amine
PubChem CID129174075
Molecular FormulaC53H38N2
Molecular Weight702.90 g/mol
Exact Mass702.30
IUPAC NameN-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-N-phenylphenanthren-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc(N(c6ccccc6)c6cc7ccccc7c7ccccc67)cc5)ccc43)cc21
InChIInChI=1S/C53H38N2/c1-53(2)48-22-12-10-19-43(48)44-30-29-40(34-49(44)53)55-50-23-13-11-21-46(50)47-32-36(26-31-51(47)55)35-24-27-39(28-25-35)54(38-15-4-3-5-16-38)52-33-37-14-6-7-17-41(37)42-18-8-9-20-45(42)52/h3-34H,1-2H3
InChIKeyIZMKFFZYSKSHDG-UHFFFAOYSA-N
XLogP14.53
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.90
LogP ≤ 514.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[9-(9,9-dimethylfluoren-2-yl)-6-[4-(N-naphthalen-1-ylanilino)phenyl]carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 137467185
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenanthren-9-ylcarbazol-3-yl)-9-phenylcarbazole
CID 158224432
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 71175461
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-naphthalen-2-yl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 161470218
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(9-naphthalen-2-ylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 59171726
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159828144
7-carbazol-9-yl-9,9-dimethyl-N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 71038303
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[3-[9-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-3-yl]phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 167287563
1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 87174605
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 159095793
3-N-(9,9-dimethylfluoren-2-yl)-5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1-N-naphthalen-2-yl-1-N,3-N-diphenylbenzene-1,3-diamine
CID 87174589
9,9-dimethyl-N-naphthalen-2-yl-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 90393480

Frequently Asked Questions

What is the IUPAC name of N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-N-phenylphenanthren-9-amine?
The IUPAC name of N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-N-phenylphenanthren-9-amine (CID 129174075) is N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-N-phenylphenanthren-9-amine.
What is the SMILES notation for N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-N-phenylphenanthren-9-amine?
The canonical SMILES for N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-N-phenylphenanthren-9-amine is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc(N(c6ccccc6)c6cc7ccccc7c7ccccc67)cc5)ccc43)cc21.
What is the InChIKey of N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-N-phenylphenanthren-9-amine?
The InChIKey is IZMKFFZYSKSHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H38N2/c1-53(2)48-22-12-10-19-43(48)44-30-29-40(34-49(44)53)55-50-23-13-11-21-46(50)47-32-36(26-31-51(47)55)35-24-27-39(28-25-35)54(38-15-4-3-5-16-38)52-33-37-14-6-7-17-41(37)42-18-8-9-20-45(42)52/h3-34H,1-2H3.
What are the key properties of N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-N-phenylphenanthren-9-amine?
N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-N-phenylphenanthren-9-amine has a molecular weight of 702.90 g/mol, XLogP of 14.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-N-phenylphenanthren-9-amine is sourced from PubChem (CID 129174075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).