N-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-phenylcarbazol-3-amine

C49H44N2 — CID 155150330

IUPACN-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-phenylcarbazol-3-amine
SMILESCC1(C)C2=C(CCC=C2)c2ccc(N(C3=CCC4(C)C(=C3)C(C)(C)c3ccccc34)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C49H44N2/c1-47(2)40-19-11-9-17-36(40)37-25-23-34(30-43(37)47)50(35-27-28-49(5)42-21-13-12-20-41(42)48(3,4)46(49)31-35)33-24-26-45-39(29-33)38-18-10-14-22-44(38)51(45)32-15-7-6-8-16-32/h6-8,10-16,18-27,29-31H,9,17,28H2,1-5H3
InChIKeyRACLSUHPUAHFAL-UHFFFAOYSA-N
MW660.91 g/mol
LogP12.78
Rot. Bonds4

About N-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-phenylcarbazol-3-amine

N-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-phenylcarbazol-3-amine (PubChem CID 155150330) has the molecular formula C49H44N2 and a molecular weight of 660.91 g/mol. Its IUPAC name is N-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-phenylcarbazol-3-amine
PubChem CID155150330
Molecular FormulaC49H44N2
Molecular Weight660.91 g/mol
Exact Mass660.35
IUPAC NameN-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-phenylcarbazol-3-amine
SMILESCC1(C)C2=C(CCC=C2)c2ccc(N(C3=CCC4(C)C(=C3)C(C)(C)c3ccccc34)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C49H44N2/c1-47(2)40-19-11-9-17-36(40)37-25-23-34(30-43(37)47)50(35-27-28-49(5)42-21-13-12-20-41(42)48(3,4)46(49)31-35)33-24-26-45-39(29-33)38-18-10-14-22-44(38)51(45)32-15-7-6-8-16-32/h6-8,10-16,18-27,29-31H,9,17,28H2,1-5H3
InChIKeyRACLSUHPUAHFAL-UHFFFAOYSA-N
XLogP12.78
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.91
LogP ≤ 512.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 163992758
N-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(2-methylphenyl)-9-phenylcarbazol-3-amine
CID 138708400
N-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-N,9-diphenyl-5,6-dihydrocarbazol-3-amine
CID 70904528
2-N',7-N',10-triphenyl-7-N'-(9-phenyl-1,5,6,9a-tetrahydrocarbazol-3-yl)-2-N'-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-fluorene]-2',7'-diamine
CID 166937527
N-cyclohexa-1,5-dien-1-yl-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 170320114
9,9-dimethyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 137484612
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
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-9-phenylcarbazol-3-amine
CID 167177623
N-(9,9-diphenylfluoren-2-yl)-N-[4-[9-phenyl-6-(9-phenyl-3,4-dihydrofluoren-9-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 167214987
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine
CID 90261832
N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-9-phenyl-N-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-ylcarbazol-3-amine
CID 138582687
9-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-N,10-N-bis(9,9-dimethylfluoren-2-yl)-10-N-(9,9-dimethylfluoren-3-yl)-2-phenylanthracene-9,10-diamine
CID 89187193

Frequently Asked Questions

What is the IUPAC name of N-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-phenylcarbazol-3-amine?
The IUPAC name of N-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-phenylcarbazol-3-amine (CID 155150330) is N-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-phenylcarbazol-3-amine?
The canonical SMILES for N-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-phenylcarbazol-3-amine is CC1(C)C2=C(CCC=C2)c2ccc(N(C3=CCC4(C)C(=C3)C(C)(C)c3ccccc34)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21.
What is the InChIKey of N-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-phenylcarbazol-3-amine?
The InChIKey is RACLSUHPUAHFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H44N2/c1-47(2)40-19-11-9-17-36(40)37-25-23-34(30-43(37)47)50(35-27-28-49(5)42-21-13-12-20-41(42)48(3,4)46(49)31-35)33-24-26-45-39(29-33)38-18-10-14-22-44(38)51(45)32-15-7-6-8-16-32/h6-8,10-16,18-27,29-31H,9,17,28H2,1-5H3.
What are the key properties of N-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-phenylcarbazol-3-amine?
N-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-phenylcarbazol-3-amine has a molecular weight of 660.91 g/mol, XLogP of 12.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4a,9,9-trimethyl-4H-fluoren-2-yl)-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-phenylcarbazol-3-amine is sourced from PubChem (CID 155150330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).