N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-5-(9,10-dihydrobenzo[a]carbazol-11-yl)-9,9-dimethylfluoren-2-amine

C43H38N2 — CID 166895539

IUPACN-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-5-(9,10-dihydrobenzo[a]carbazol-11-yl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2cc(N(C3=CCCC=C3)C3=CC=CCC3)ccc2-c2c(-n3c4c(c5ccc6ccccc6c53)C=CCC4)cccc21
InChIInChI=1S/C43H38N2/c1-43(2)37-21-13-23-40(45-39-22-12-11-20-34(39)35-26-24-29-14-9-10-19-33(29)42(35)45)41(37)36-27-25-32(28-38(36)43)44(30-15-5-3-6-16-30)31-17-7-4-8-18-31/h3,5,7,9-11,13-15,17-21,23-28H,4,6,8,12,16,22H2,1-2H3
InChIKeyHYNOURVUJYZZNM-UHFFFAOYSA-N
MW582.79 g/mol
LogP11.32
Rot. Bonds4

About N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-5-(9,10-dihydrobenzo[a]carbazol-11-yl)-9,9-dimethylfluoren-2-amine

N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-5-(9,10-dihydrobenzo[a]carbazol-11-yl)-9,9-dimethylfluoren-2-amine (PubChem CID 166895539) has the molecular formula C43H38N2 and a molecular weight of 582.79 g/mol. Its IUPAC name is N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-5-(9,10-dihydrobenzo[a]carbazol-11-yl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-5-(9,10-dihydrobenzo[a]carbazol-11-yl)-9,9-dimethylfluoren-2-amine
PubChem CID166895539
Molecular FormulaC43H38N2
Molecular Weight582.79 g/mol
Exact Mass582.30
IUPAC NameN-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-5-(9,10-dihydrobenzo[a]carbazol-11-yl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2cc(N(C3=CCCC=C3)C3=CC=CCC3)ccc2-c2c(-n3c4c(c5ccc6ccccc6c53)C=CCC4)cccc21
InChIInChI=1S/C43H38N2/c1-43(2)37-21-13-23-40(45-39-22-12-11-20-34(39)35-26-24-29-14-9-10-19-33(29)42(35)45)41(37)36-27-25-32(28-38(36)43)44(30-15-5-3-6-16-30)31-17-7-4-8-18-31/h3,5,7,9-11,13-15,17-21,23-28H,4,6,8,12,16,22H2,1-2H3
InChIKeyHYNOURVUJYZZNM-UHFFFAOYSA-N
XLogP11.32
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.79
LogP ≤ 511.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-5-(9,10-dihydrobenzo[a]carbazol-11-yl)-9,9-dimethylfluoren-2-amine with MolForge

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Related Compounds

N-cyclohexa-1,3-dien-1-yl-N-[2-(9,9-dimethylfluoren-1-yl)-3-naphthalen-1-ylphenyl]-9,9-dimethylfluoren-2-amine
CID 167293388
4-N-cyclohexa-1,5-dien-1-yl-1-N,4-N-bis(9,9-dimethylfluoren-2-yl)-2-(9-naphthalen-1-ylcarbazol-3-yl)-1-N-phenylbenzene-1,4-diamine
CID 87174608
9-N-cyclohexa-1,3-dien-1-yl-7,7-dimethyl-5-N,5-N,9-N-triphenylbenzo[c]fluorene-5,9-diamine
CID 131994114
7-N-cyclohexa-1,3-dien-1-yl-9,9-dimethyl-2-N,2-N,7-N-triphenylfluorene-2,7-diamine
CID 143993809
7-N-cyclohexa-1,3-dien-1-yl-9,9-dimethyl-2-N,2-N,7-N-triphenylfluorene-2,7-diamine;ethane
CID 143993808
3-N-cyclohexa-1,3-dien-1-yl-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N-phenyl-5-(9-phenyl-1,2,7,8-tetrahydrocarbazol-3-yl)benzene-1,3-diamine
CID 129311142
7-N-cyclohexa-1,3-dien-1-yl-2-N-cyclohexa-1,5-dien-1-yl-9,9-dimethyl-2-N,7-N-diphenyl-2,3-dihydrofluorene-2,7-diamine
CID 70965419
6-N-cyclohexa-1,3-dien-1-yl-6-N,21-N-bis(9,9-dimethylfluoren-2-yl)-3,24-dimethyl-21-N-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine
CID 89104265
2-N-cyclohexa-1,5-dien-1-yl-9-(9,9-dimethylfluoren-2-yl)-2-N-naphthalen-2-yl-10-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-6-N,6-N-diphenylanthracene-2,6-diamine
CID 89060934
2-benzo[c]carbazol-7-yl-5-[9-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]-3,4,7a,12a-tetrahydro-[1]benzofuro[3,2-a]carbazol-12-yl]benzene-1,4-dicarbonitrile
CID 155237395
N-[5-[4-[4-[3-(N-cyclohexa-1,3-dien-1-ylanilino)cyclohexa-1,3-dien-1-yl]phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,5-dien-1-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 89356008
N,N-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-7,7-dimethylbenzo[g]fluoren-9-amine
CID 90272762

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-5-(9,10-dihydrobenzo[a]carbazol-11-yl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-5-(9,10-dihydrobenzo[a]carbazol-11-yl)-9,9-dimethylfluoren-2-amine (CID 166895539) is N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-5-(9,10-dihydrobenzo[a]carbazol-11-yl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-5-(9,10-dihydrobenzo[a]carbazol-11-yl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-5-(9,10-dihydrobenzo[a]carbazol-11-yl)-9,9-dimethylfluoren-2-amine is CC1(C)c2cc(N(C3=CCCC=C3)C3=CC=CCC3)ccc2-c2c(-n3c4c(c5ccc6ccccc6c53)C=CCC4)cccc21.
What is the InChIKey of N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-5-(9,10-dihydrobenzo[a]carbazol-11-yl)-9,9-dimethylfluoren-2-amine?
The InChIKey is HYNOURVUJYZZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H38N2/c1-43(2)37-21-13-23-40(45-39-22-12-11-20-34(39)35-26-24-29-14-9-10-19-33(29)42(35)45)41(37)36-27-25-32(28-38(36)43)44(30-15-5-3-6-16-30)31-17-7-4-8-18-31/h3,5,7,9-11,13-15,17-21,23-28H,4,6,8,12,16,22H2,1-2H3.
What are the key properties of N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-5-(9,10-dihydrobenzo[a]carbazol-11-yl)-9,9-dimethylfluoren-2-amine?
N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-5-(9,10-dihydrobenzo[a]carbazol-11-yl)-9,9-dimethylfluoren-2-amine has a molecular weight of 582.79 g/mol, XLogP of 11.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-5-(9,10-dihydrobenzo[a]carbazol-11-yl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 166895539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).