N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine

C54H46N2 — CID 155484122

IUPACN-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine
SMILESCC1(C)C2=C(C=CCC2)c2ccc(N(c3ccc(C4C=Cc5c(c6ccccc6n5-c5ccccc5)C4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C54H46N2/c1-53(2)47-19-11-8-16-41(47)43-29-27-39(33-49(43)53)55(40-28-30-44-42-17-9-12-20-48(42)54(3,4)50(44)34-40)38-25-22-35(23-26-38)36-24-31-52-46(32-36)45-18-10-13-21-51(45)56(52)37-14-6-5-7-15-37/h5-11,13-19,21-31,33-34,36H,12,20,32H2,1-4H3
InChIKeySWHIGFLBXOUIQT-UHFFFAOYSA-N
MW722.98 g/mol
LogP14.15
Rot. Bonds5

About N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine

N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine (PubChem CID 155484122) has the molecular formula C54H46N2 and a molecular weight of 722.98 g/mol. Its IUPAC name is N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine
PubChem CID155484122
Molecular FormulaC54H46N2
Molecular Weight722.98 g/mol
Exact Mass722.37
IUPAC NameN-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine
SMILESCC1(C)C2=C(C=CCC2)c2ccc(N(c3ccc(C4C=Cc5c(c6ccccc6n5-c5ccccc5)C4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C54H46N2/c1-53(2)47-19-11-8-16-41(47)43-29-27-39(33-49(43)53)55(40-28-30-44-42-17-9-12-20-48(42)54(3,4)50(44)34-40)38-25-22-35(23-26-38)36-24-31-52-46(32-36)45-18-10-13-21-51(45)56(52)37-14-6-5-7-15-37/h5-11,13-19,21-31,33-34,36H,12,20,32H2,1-4H3
InChIKeySWHIGFLBXOUIQT-UHFFFAOYSA-N
XLogP14.15
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.98
LogP ≤ 514.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-N-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9-phenylcarbazol-3-yl)amino]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-9-phenylcarbazol-3-amine
CID 88891872
9,9-dimethyl-N-[4-[(9-phenyl-3,4-dihydrocarbazol-3-yl)methyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 166906503
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenyl-3,4,5,6-tetrahydrocarbazol-3-yl)phenyl]-1,2-dihydropyridin-6-amine
CID 174366882
10-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-5-N,5-N,10-N-tris(9,9-dimethylfluoren-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-5,10-diamine
CID 89074369
7-(3,4-dihydrocarbazol-9-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 170245027
9,9-dimethyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-4b,7,8,8a-tetrahydrofluoren-2-amine
CID 138510419
N-(9,9-dimethylfluoren-2-yl)-5-oxo-N,5-diphenyl-8-(7-phenyl-10,11-dihydrobenzo[c]carbazol-10-yl)benzo[b]phosphindol-2-amine
CID 89035158
N-(4-carbazol-9-ylphenyl)-4-[4-[10-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anthracen-9-yl]phenyl]-N-phenylaniline
CID 89196839
9-cyclohexa-2,4-dien-1-yl-9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-phenyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine
CID 146670239
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine
CID 122546847
N-[4-[9-cyclohexa-1,5-dien-1-yl-6-[9,9-dimethyl-7-[4-[9-phenyl-6-[2,9,9-trimethyl-7-[4-[9-(6-methylcyclohexa-2,4-dien-1-yl)carbazol-3-yl]-N-(4-pyridin-3-ylphenyl)anilino]-1H-fluoren-2-yl]-3,4-dihydrocarbazol-3-yl]-N-(3-pyridin-3-ylphenyl)anilino]fluoren-2-yl]carbazol-3-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)pyridin-2-amine
CID 166649425
2-N,2-N,7-N-tris(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-7-N-(9,9-dimethylfluoren-2-yl)-9,10-dimethylanthracene-2,7-diamine
CID 89152690

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine?
The IUPAC name of N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine (CID 155484122) is N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine?
The canonical SMILES for N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine is CC1(C)C2=C(C=CCC2)c2ccc(N(c3ccc(C4C=Cc5c(c6ccccc6n5-c5ccccc5)C4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.
What is the InChIKey of N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine?
The InChIKey is SWHIGFLBXOUIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H46N2/c1-53(2)47-19-11-8-16-41(47)43-29-27-39(33-49(43)53)55(40-28-30-44-42-17-9-12-20-48(42)54(3,4)50(44)34-40)38-25-22-35(23-26-38)36-24-31-52-46(32-36)45-18-10-13-21-51(45)56(52)37-14-6-5-7-15-37/h5-11,13-19,21-31,33-34,36H,12,20,32H2,1-4H3.
What are the key properties of N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine?
N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine has a molecular weight of 722.98 g/mol, XLogP of 14.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 155484122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).