N-[5-(3-carbazol-9-ylphenyl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine

C54H44N2 — CID 166895444

IUPACN-[5-(3-carbazol-9-ylphenyl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)C3C=CC=C(c5cccc(-n6c7ccccc7c7ccccc76)c5)C43)cc21
InChIInChI=1S/C54H44N2/c1-53(2)46-24-11-8-20-41(46)42-30-28-38(33-48(42)53)55(36-17-6-5-7-18-36)39-29-31-45-49(34-39)54(3,4)47-25-15-23-40(52(45)47)35-16-14-19-37(32-35)56-50-26-12-9-21-43(50)44-22-10-13-27-51(44)56/h5-34,47,52H,1-4H3
InChIKeyLNCGVSTWIYXHDS-UHFFFAOYSA-N
MW720.96 g/mol
LogP14.20
Rot. Bonds5

About N-[5-(3-carbazol-9-ylphenyl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine

N-[5-(3-carbazol-9-ylphenyl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine (PubChem CID 166895444) has the molecular formula C54H44N2 and a molecular weight of 720.96 g/mol. Its IUPAC name is N-[5-(3-carbazol-9-ylphenyl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-[5-(3-carbazol-9-ylphenyl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
PubChem CID166895444
Molecular FormulaC54H44N2
Molecular Weight720.96 g/mol
Exact Mass720.35
IUPAC NameN-[5-(3-carbazol-9-ylphenyl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)C3C=CC=C(c5cccc(-n6c7ccccc7c7ccccc76)c5)C43)cc21
InChIInChI=1S/C54H44N2/c1-53(2)46-24-11-8-20-41(46)42-30-28-38(33-48(42)53)55(36-17-6-5-7-18-36)39-29-31-45-49(34-39)54(3,4)47-25-15-23-40(52(45)47)35-16-14-19-37(32-35)56-50-26-12-9-21-43(50)44-22-10-13-27-51(44)56/h5-34,47,52H,1-4H3
InChIKeyLNCGVSTWIYXHDS-UHFFFAOYSA-N
XLogP14.20
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.96
LogP ≤ 514.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
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
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
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 59171718
9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 160631276
9,9-dimethyl-N-[4-(9-methyl-9-phenyl-4a,9a-dihydrofluoren-4-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 122487902
carbanide;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;molecular hydrogen;vanadium
CID 158521255
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;propane
CID 145262951
N-[4-[4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 58454141
9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 67964234
4-N-(9,9-dimethylfluoren-2-yl)-1-N-[4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 163439263
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 158241531

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-carbazol-9-ylphenyl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The IUPAC name of N-[5-(3-carbazol-9-ylphenyl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine (CID 166895444) is N-[5-(3-carbazol-9-ylphenyl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine.
What is the SMILES notation for N-[5-(3-carbazol-9-ylphenyl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The canonical SMILES for N-[5-(3-carbazol-9-ylphenyl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)C3C=CC=C(c5cccc(-n6c7ccccc7c7ccccc76)c5)C43)cc21.
What is the InChIKey of N-[5-(3-carbazol-9-ylphenyl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The InChIKey is LNCGVSTWIYXHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H44N2/c1-53(2)46-24-11-8-20-41(46)42-30-28-38(33-48(42)53)55(36-17-6-5-7-18-36)39-29-31-45-49(34-39)54(3,4)47-25-15-23-40(52(45)47)35-16-14-19-37(32-35)56-50-26-12-9-21-43(50)44-22-10-13-27-51(44)56/h5-34,47,52H,1-4H3.
What are the key properties of N-[5-(3-carbazol-9-ylphenyl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine?
N-[5-(3-carbazol-9-ylphenyl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine has a molecular weight of 720.96 g/mol, XLogP of 14.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-carbazol-9-ylphenyl)-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine is sourced from PubChem (CID 166895444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).