9,9-dimethyl-N-phenyl-7-(9-phenyl-1,2,3,4,4a,9a-hexahydrocarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine

C51H44N2 — CID 137493655

IUPAC9,9-dimethyl-N-phenyl-7-(9-phenyl-1,2,3,4,4a,9a-hexahydrocarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(C3CCC4C(C3)c3ccccc3N4c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C51H44N2/c1-51(2)47-33-38(37-25-31-50-46(32-37)45-20-12-13-21-49(45)53(50)40-18-10-5-11-19-40)24-29-43(47)44-30-28-42(34-48(44)51)52(39-16-8-4-9-17-39)41-26-22-36(23-27-41)35-14-6-3-7-15-35/h3-24,26-30,33-34,37,46,50H,25,31-32H2,1-2H3
InChIKeyGUDQDWYDXCPRAQ-UHFFFAOYSA-N
MW684.93 g/mol
LogP13.70
Rot. Bonds6

About 9,9-dimethyl-N-phenyl-7-(9-phenyl-1,2,3,4,4a,9a-hexahydrocarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine

9,9-dimethyl-N-phenyl-7-(9-phenyl-1,2,3,4,4a,9a-hexahydrocarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 137493655) has the molecular formula C51H44N2 and a molecular weight of 684.93 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-7-(9-phenyl-1,2,3,4,4a,9a-hexahydrocarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-phenyl-7-(9-phenyl-1,2,3,4,4a,9a-hexahydrocarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID137493655
Molecular FormulaC51H44N2
Molecular Weight684.93 g/mol
Exact Mass684.35
IUPAC Name9,9-dimethyl-N-phenyl-7-(9-phenyl-1,2,3,4,4a,9a-hexahydrocarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(C3CCC4C(C3)c3ccccc3N4c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C51H44N2/c1-51(2)47-33-38(37-25-31-50-46(32-37)45-20-12-13-21-49(45)53(50)40-18-10-5-11-19-40)24-29-43(47)44-30-28-42(34-48(44)51)52(39-16-8-4-9-17-39)41-26-22-36(23-27-41)35-14-6-3-7-15-35/h3-24,26-30,33-34,37,46,50H,25,31-32H2,1-2H3
InChIKeyGUDQDWYDXCPRAQ-UHFFFAOYSA-N
XLogP13.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.93
LogP ≤ 513.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-(4a,9a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 168721277
2-N,7-N-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 23561352
9,9-dimethyl-N-[4-(10-phenylphenazin-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 90120877
9,9-dimethyl-7-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428445
9,9-dimethyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 144896810
9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 131994094
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 118428449
2-N,2-N,7-N,7-N-tetrakis(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine
CID 20759573
N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[2,5-diphenyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 176611487
2-N-[4-(1-adamantyl)phenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)fluorene-2,7-diamine
CID 164768061

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenyl-7-(9-phenyl-1,2,3,4,4a,9a-hexahydrocarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-phenyl-7-(9-phenyl-1,2,3,4,4a,9a-hexahydrocarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine (CID 137493655) is 9,9-dimethyl-N-phenyl-7-(9-phenyl-1,2,3,4,4a,9a-hexahydrocarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-phenyl-7-(9-phenyl-1,2,3,4,4a,9a-hexahydrocarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-phenyl-7-(9-phenyl-1,2,3,4,4a,9a-hexahydrocarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2cc(C3CCC4C(C3)c3ccccc3N4c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-N-phenyl-7-(9-phenyl-1,2,3,4,4a,9a-hexahydrocarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is GUDQDWYDXCPRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H44N2/c1-51(2)47-33-38(37-25-31-50-46(32-37)45-20-12-13-21-49(45)53(50)40-18-10-5-11-19-40)24-29-43(47)44-30-28-42(34-48(44)51)52(39-16-8-4-9-17-39)41-26-22-36(23-27-41)35-14-6-3-7-15-35/h3-24,26-30,33-34,37,46,50H,25,31-32H2,1-2H3.
What are the key properties of 9,9-dimethyl-N-phenyl-7-(9-phenyl-1,2,3,4,4a,9a-hexahydrocarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine?
9,9-dimethyl-N-phenyl-7-(9-phenyl-1,2,3,4,4a,9a-hexahydrocarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 684.93 g/mol, XLogP of 13.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-phenyl-7-(9-phenyl-1,2,3,4,4a,9a-hexahydrocarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 137493655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).