benzene;(Z)-1-[3-(6-carbazol-9-yl-9-methylcarbazol-3-yl)phenyl]-2-(9H-fluoren-1-yl)ethenamine

C52H39N3 — CID 145167637

IUPACbenzene;(Z)-1-[3-(6-carbazol-9-yl-9-methylcarbazol-3-yl)phenyl]-2-(9H-fluoren-1-yl)ethenamine
SMILESCn1c2ccc(-c3cccc(/C(N)=C/c4cccc5c4Cc4ccccc4-5)c3)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.c1ccccc1
InChIInChI=1S/C46H33N3.C6H6/c1-48-43-22-20-30(29-11-8-13-33(24-29)42(47)27-32-12-9-17-36-35-14-3-2-10-31(35)26-39(32)36)25-40(43)41-28-34(21-23-44(41)48)49-45-18-6-4-15-37(45)38-16-5-7-19-46(38)49;1-2-4-6-5-3-1/h2-25,27-28H,26,47H2,1H3;1-6H/b42-27-;
InChIKeyVGVSIIQPNFNSFU-BXCHDDGISA-N
MW705.91 g/mol
LogP12.81
Rot. Bonds4

About benzene;(Z)-1-[3-(6-carbazol-9-yl-9-methylcarbazol-3-yl)phenyl]-2-(9H-fluoren-1-yl)ethenamine

benzene;(Z)-1-[3-(6-carbazol-9-yl-9-methylcarbazol-3-yl)phenyl]-2-(9H-fluoren-1-yl)ethenamine (PubChem CID 145167637) has the molecular formula C52H39N3 and a molecular weight of 705.91 g/mol. Its IUPAC name is benzene;(Z)-1-[3-(6-carbazol-9-yl-9-methylcarbazol-3-yl)phenyl]-2-(9H-fluoren-1-yl)ethenamine.

Molecular Properties

Compound Namebenzene;(Z)-1-[3-(6-carbazol-9-yl-9-methylcarbazol-3-yl)phenyl]-2-(9H-fluoren-1-yl)ethenamine
PubChem CID145167637
Molecular FormulaC52H39N3
Molecular Weight705.91 g/mol
Exact Mass705.31
IUPAC Namebenzene;(Z)-1-[3-(6-carbazol-9-yl-9-methylcarbazol-3-yl)phenyl]-2-(9H-fluoren-1-yl)ethenamine
SMILESCn1c2ccc(-c3cccc(/C(N)=C/c4cccc5c4Cc4ccccc4-5)c3)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.c1ccccc1
InChIInChI=1S/C46H33N3.C6H6/c1-48-43-22-20-30(29-11-8-13-33(24-29)42(47)27-32-12-9-17-36-35-14-3-2-10-31(35)26-39(32)36)25-40(43)41-28-34(21-23-44(41)48)49-45-18-6-4-15-37(45)38-16-5-7-19-46(38)49;1-2-4-6-5-3-1/h2-25,27-28H,26,47H2,1H3;1-6H/b42-27-;
InChIKeyVGVSIIQPNFNSFU-BXCHDDGISA-N
XLogP12.81
TPSA35.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.91
LogP ≤ 512.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-2-(9H-fluoren-1-yl)ethenamine
CID 145167560
3-carbazol-9-yl-9-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]carbazole
CID 118346460
6-carbazol-9-yl-2-(9H-fluoren-3-yl)-9-methylcarbazole
CID 121465243
9-methyl-3-[3-[9-(9-methyl-6-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylcarbazole
CID 71232675
9-methyl-3-(3-phenylcarbazol-9-yl)carbazole
CID 118137351
7-[4-(9H-fluoren-1-yl)phenyl]-2,5-diphenylindolo[2,3-b]carbazole
CID 126580464
2-[9-(9H-fluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 121241625
N-[4-(9H-fluoren-1-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline
CID 155138336
2-[9-(9H-fluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 121241600
3-[9-(9H-fluoren-1-yl)carbazol-3-yl]-9-(4-phenylnaphthalen-2-yl)carbazole
CID 167043378
CID 144729927
CID 144729927
9-[9-(9-methylcarbazol-2-yl)carbazol-2-yl]-3,6-diphenylcarbazole
CID 118335035

Frequently Asked Questions

What is the IUPAC name of benzene;(Z)-1-[3-(6-carbazol-9-yl-9-methylcarbazol-3-yl)phenyl]-2-(9H-fluoren-1-yl)ethenamine?
The IUPAC name of benzene;(Z)-1-[3-(6-carbazol-9-yl-9-methylcarbazol-3-yl)phenyl]-2-(9H-fluoren-1-yl)ethenamine (CID 145167637) is benzene;(Z)-1-[3-(6-carbazol-9-yl-9-methylcarbazol-3-yl)phenyl]-2-(9H-fluoren-1-yl)ethenamine.
What is the SMILES notation for benzene;(Z)-1-[3-(6-carbazol-9-yl-9-methylcarbazol-3-yl)phenyl]-2-(9H-fluoren-1-yl)ethenamine?
The canonical SMILES for benzene;(Z)-1-[3-(6-carbazol-9-yl-9-methylcarbazol-3-yl)phenyl]-2-(9H-fluoren-1-yl)ethenamine is Cn1c2ccc(-c3cccc(/C(N)=C/c4cccc5c4Cc4ccccc4-5)c3)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.c1ccccc1.
What is the InChIKey of benzene;(Z)-1-[3-(6-carbazol-9-yl-9-methylcarbazol-3-yl)phenyl]-2-(9H-fluoren-1-yl)ethenamine?
The InChIKey is VGVSIIQPNFNSFU-BXCHDDGISA-N. The full InChI is InChI=1S/C46H33N3.C6H6/c1-48-43-22-20-30(29-11-8-13-33(24-29)42(47)27-32-12-9-17-36-35-14-3-2-10-31(35)26-39(32)36)25-40(43)41-28-34(21-23-44(41)48)49-45-18-6-4-15-37(45)38-16-5-7-19-46(38)49;1-2-4-6-5-3-1/h2-25,27-28H,26,47H2,1H3;1-6H/b42-27-;.
What are the key properties of benzene;(Z)-1-[3-(6-carbazol-9-yl-9-methylcarbazol-3-yl)phenyl]-2-(9H-fluoren-1-yl)ethenamine?
benzene;(Z)-1-[3-(6-carbazol-9-yl-9-methylcarbazol-3-yl)phenyl]-2-(9H-fluoren-1-yl)ethenamine has a molecular weight of 705.91 g/mol, XLogP of 12.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;(Z)-1-[3-(6-carbazol-9-yl-9-methylcarbazol-3-yl)phenyl]-2-(9H-fluoren-1-yl)ethenamine is sourced from PubChem (CID 145167637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).