9-(11,11-dimethylbenzo[a]fluoren-2-yl)-N,N-diphenyl-1,9a-dihydrocarbazol-2-amine

C43H34N2 — CID 139363661

IUPAC9-(11,11-dimethylbenzo[a]fluoren-2-yl)-N,N-diphenyl-1,9a-dihydrocarbazol-2-amine
SMILESCC1(C)c2ccccc2-c2ccc3ccc(N4c5ccccc5C5=CC=C(N(c6ccccc6)c6ccccc6)CC54)cc3c21
InChIInChI=1S/C43H34N2/c1-43(2)39-19-11-9-17-34(39)37-25-22-29-21-23-32(27-38(29)42(37)43)45-40-20-12-10-18-35(40)36-26-24-33(28-41(36)45)44(30-13-5-3-6-14-30)31-15-7-4-8-16-31/h3-27,41H,28H2,1-2H3
InChIKeyYYMRCZNZPHCLMZ-UHFFFAOYSA-N
MW578.76 g/mol
LogP11.18
Rot. Bonds4

About 9-(11,11-dimethylbenzo[a]fluoren-2-yl)-N,N-diphenyl-1,9a-dihydrocarbazol-2-amine

9-(11,11-dimethylbenzo[a]fluoren-2-yl)-N,N-diphenyl-1,9a-dihydrocarbazol-2-amine (PubChem CID 139363661) has the molecular formula C43H34N2 and a molecular weight of 578.76 g/mol. Its IUPAC name is 9-(11,11-dimethylbenzo[a]fluoren-2-yl)-N,N-diphenyl-1,9a-dihydrocarbazol-2-amine.

Molecular Properties

Compound Name9-(11,11-dimethylbenzo[a]fluoren-2-yl)-N,N-diphenyl-1,9a-dihydrocarbazol-2-amine
PubChem CID139363661
Molecular FormulaC43H34N2
Molecular Weight578.76 g/mol
Exact Mass578.27
IUPAC Name9-(11,11-dimethylbenzo[a]fluoren-2-yl)-N,N-diphenyl-1,9a-dihydrocarbazol-2-amine
SMILESCC1(C)c2ccccc2-c2ccc3ccc(N4c5ccccc5C5=CC=C(N(c6ccccc6)c6ccccc6)CC54)cc3c21
InChIInChI=1S/C43H34N2/c1-43(2)39-19-11-9-17-34(39)37-25-22-29-21-23-32(27-38(29)42(37)43)45-40-20-12-10-18-35(40)36-26-24-33(28-41(36)45)44(30-13-5-3-6-14-30)31-15-7-4-8-16-31/h3-27,41H,28H2,1-2H3
InChIKeyYYMRCZNZPHCLMZ-UHFFFAOYSA-N
XLogP11.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.76
LogP ≤ 511.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(11,11-dimethylbenzo[a]fluoren-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 139363610
N-(4-chrysen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-4,4a-dihydrodibenzofuran-3-amine
CID 170140186
11,11-dimethylbenzo[a]fluorene;ethane
CID 144938734
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-11,11-dimethyl-N-phenylbenzo[a]fluoren-9-amine
CID 170179875
3,3-dimethyl-16-(9-phenylcarbazol-1-yl)-16-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene
CID 126718273
3-(3,3-dimethyl-16-phenyl-16-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaen-20-yl)-N,N-bis(4-phenylphenyl)aniline
CID 140905740
16,16-dimethyl-N-phenyl-N-(4-phenylphenyl)hexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-amine
CID 164721855
9,9-dimethyl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenyl-1,9a-dihydrofluorene-2,7-diamine
CID 70965340
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-N,N-diphenyl-3-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaen-7-amine
CID 118652958
N-[3-[2-[9-(9,9-diphenylfluoren-2-yl)-8,8a-dihydrocarbazol-2-yl]phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;prop-1-ene
CID 144907547
12,12-dimethyl-N-phenyl-N-(7,7,12,12-tetramethylindeno[2,1-g]fluoren-9-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine
CID 130290640
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-3-(9-naphthalen-1-ylcarbazol-3-yl)-N-phenylfluoren-1-amine
CID 122462647

Frequently Asked Questions

What is the IUPAC name of 9-(11,11-dimethylbenzo[a]fluoren-2-yl)-N,N-diphenyl-1,9a-dihydrocarbazol-2-amine?
The IUPAC name of 9-(11,11-dimethylbenzo[a]fluoren-2-yl)-N,N-diphenyl-1,9a-dihydrocarbazol-2-amine (CID 139363661) is 9-(11,11-dimethylbenzo[a]fluoren-2-yl)-N,N-diphenyl-1,9a-dihydrocarbazol-2-amine.
What is the SMILES notation for 9-(11,11-dimethylbenzo[a]fluoren-2-yl)-N,N-diphenyl-1,9a-dihydrocarbazol-2-amine?
The canonical SMILES for 9-(11,11-dimethylbenzo[a]fluoren-2-yl)-N,N-diphenyl-1,9a-dihydrocarbazol-2-amine is CC1(C)c2ccccc2-c2ccc3ccc(N4c5ccccc5C5=CC=C(N(c6ccccc6)c6ccccc6)CC54)cc3c21.
What is the InChIKey of 9-(11,11-dimethylbenzo[a]fluoren-2-yl)-N,N-diphenyl-1,9a-dihydrocarbazol-2-amine?
The InChIKey is YYMRCZNZPHCLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H34N2/c1-43(2)39-19-11-9-17-34(39)37-25-22-29-21-23-32(27-38(29)42(37)43)45-40-20-12-10-18-35(40)36-26-24-33(28-41(36)45)44(30-13-5-3-6-14-30)31-15-7-4-8-16-31/h3-27,41H,28H2,1-2H3.
What are the key properties of 9-(11,11-dimethylbenzo[a]fluoren-2-yl)-N,N-diphenyl-1,9a-dihydrocarbazol-2-amine?
9-(11,11-dimethylbenzo[a]fluoren-2-yl)-N,N-diphenyl-1,9a-dihydrocarbazol-2-amine has a molecular weight of 578.76 g/mol, XLogP of 11.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(11,11-dimethylbenzo[a]fluoren-2-yl)-N,N-diphenyl-1,9a-dihydrocarbazol-2-amine is sourced from PubChem (CID 139363661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).