(2Z,3E)-9-[4-[4-[2,3-bis(ethenyl)indol-1-yl]phenyl]phenyl]-3-ethylidene-1,1-dimethyl-2-prop-2-enylidenecyclopenta[b]carbazole

C46H38N2 — CID 156642998

IUPAC(2Z,3E)-9-[4-[4-[2,3-bis(ethenyl)indol-1-yl]phenyl]phenyl]-3-ethylidene-1,1-dimethyl-2-prop-2-enylidenecyclopenta[b]carbazole
SMILESC=C/C=C1C(=C/C)\c2cc3c4ccccc4n(-c4ccc(-c5ccc(-n6c(C=C)c(C=C)c7ccccc76)cc5)cc4)c3cc2C\1(C)C
InChIInChI=1S/C46H38N2/c1-7-15-40-34(8-2)38-28-39-37-17-12-14-19-44(37)48(45(39)29-41(38)46(40,5)6)33-26-22-31(23-27-33)30-20-24-32(25-21-30)47-42(10-4)35(9-3)36-16-11-13-18-43(36)47/h7-29H,1,3-4H2,2,5-6H3/b34-8-,40-15+
InChIKeyLISGHCZFHYWFRF-LIELCTCOSA-N
MW618.82 g/mol
LogP12.49
Rot. Bonds6

About (2Z,3E)-9-[4-[4-[2,3-bis(ethenyl)indol-1-yl]phenyl]phenyl]-3-ethylidene-1,1-dimethyl-2-prop-2-enylidenecyclopenta[b]carbazole

(2Z,3E)-9-[4-[4-[2,3-bis(ethenyl)indol-1-yl]phenyl]phenyl]-3-ethylidene-1,1-dimethyl-2-prop-2-enylidenecyclopenta[b]carbazole (PubChem CID 156642998) has the molecular formula C46H38N2 and a molecular weight of 618.82 g/mol. Its IUPAC name is (2Z,3E)-9-[4-[4-[2,3-bis(ethenyl)indol-1-yl]phenyl]phenyl]-3-ethylidene-1,1-dimethyl-2-prop-2-enylidenecyclopenta[b]carbazole.

Molecular Properties

Compound Name(2Z,3E)-9-[4-[4-[2,3-bis(ethenyl)indol-1-yl]phenyl]phenyl]-3-ethylidene-1,1-dimethyl-2-prop-2-enylidenecyclopenta[b]carbazole
PubChem CID156642998
Molecular FormulaC46H38N2
Molecular Weight618.82 g/mol
Exact Mass618.30
IUPAC Name(2Z,3E)-9-[4-[4-[2,3-bis(ethenyl)indol-1-yl]phenyl]phenyl]-3-ethylidene-1,1-dimethyl-2-prop-2-enylidenecyclopenta[b]carbazole
SMILESC=C/C=C1C(=C/C)\c2cc3c4ccccc4n(-c4ccc(-c5ccc(-n6c(C=C)c(C=C)c7ccccc76)cc5)cc4)c3cc2C\1(C)C
InChIInChI=1S/C46H38N2/c1-7-15-40-34(8-2)38-28-39-37-17-12-14-19-44(37)48(45(39)29-41(38)46(40,5)6)33-26-22-31(23-27-33)30-20-24-32(25-21-30)47-42(10-4)35(9-3)36-16-11-13-18-43(36)47/h7-29H,1,3-4H2,2,5-6H3/b34-8-,40-15+
InChIKeyLISGHCZFHYWFRF-LIELCTCOSA-N
XLogP12.49
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.82
LogP ≤ 512.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1E)-1-ethylidene-3,3-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-prop-2-enylideneinden-5-amine
CID 174102073
9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole
CID 174303299
(2Z,3E)-2-ethylidene-6-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-3-yl]-1,1-dimethyl-9-(9-phenylcarbazol-3-yl)-3-prop-2-enylidenecyclopenta[b]carbazole
CID 142308521
2,3-bis(ethenyl)-1-(4-methylphenyl)indole
CID 91187792
24,24-dimethyl-20-(4-phenylphenyl)-20-azaheptacyclo[19.11.0.02,7.08,13.014,19.023,31.025,30]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,21,23(31),25,27,29-pentadecaene
CID 142363377
4-N-[4-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 137384769
3-[2-ethenyl-1-[4-(4-phenylphenyl)phenyl]-3-[(Z)-prop-1-enyl]indol-5-yl]-9-(2-phenylphenyl)carbazole
CID 177063540
11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 58059239
7,7-dimethyl-5-phenyl-N,N-bis(4-phenylphenyl)indeno[2,1-b]carbazol-9-amine
CID 66805021
2-carbazol-9-yl-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole;7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole
CID 159588417
15-[4-(11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492388
9-[3-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]carbazole
CID 89315996

Frequently Asked Questions

What is the IUPAC name of (2Z,3E)-9-[4-[4-[2,3-bis(ethenyl)indol-1-yl]phenyl]phenyl]-3-ethylidene-1,1-dimethyl-2-prop-2-enylidenecyclopenta[b]carbazole?
The IUPAC name of (2Z,3E)-9-[4-[4-[2,3-bis(ethenyl)indol-1-yl]phenyl]phenyl]-3-ethylidene-1,1-dimethyl-2-prop-2-enylidenecyclopenta[b]carbazole (CID 156642998) is (2Z,3E)-9-[4-[4-[2,3-bis(ethenyl)indol-1-yl]phenyl]phenyl]-3-ethylidene-1,1-dimethyl-2-prop-2-enylidenecyclopenta[b]carbazole.
What is the SMILES notation for (2Z,3E)-9-[4-[4-[2,3-bis(ethenyl)indol-1-yl]phenyl]phenyl]-3-ethylidene-1,1-dimethyl-2-prop-2-enylidenecyclopenta[b]carbazole?
The canonical SMILES for (2Z,3E)-9-[4-[4-[2,3-bis(ethenyl)indol-1-yl]phenyl]phenyl]-3-ethylidene-1,1-dimethyl-2-prop-2-enylidenecyclopenta[b]carbazole is C=C/C=C1C(=C/C)\c2cc3c4ccccc4n(-c4ccc(-c5ccc(-n6c(C=C)c(C=C)c7ccccc76)cc5)cc4)c3cc2C\1(C)C.
What is the InChIKey of (2Z,3E)-9-[4-[4-[2,3-bis(ethenyl)indol-1-yl]phenyl]phenyl]-3-ethylidene-1,1-dimethyl-2-prop-2-enylidenecyclopenta[b]carbazole?
The InChIKey is LISGHCZFHYWFRF-LIELCTCOSA-N. The full InChI is InChI=1S/C46H38N2/c1-7-15-40-34(8-2)38-28-39-37-17-12-14-19-44(37)48(45(39)29-41(38)46(40,5)6)33-26-22-31(23-27-33)30-20-24-32(25-21-30)47-42(10-4)35(9-3)36-16-11-13-18-43(36)47/h7-29H,1,3-4H2,2,5-6H3/b34-8-,40-15+.
What are the key properties of (2Z,3E)-9-[4-[4-[2,3-bis(ethenyl)indol-1-yl]phenyl]phenyl]-3-ethylidene-1,1-dimethyl-2-prop-2-enylidenecyclopenta[b]carbazole?
(2Z,3E)-9-[4-[4-[2,3-bis(ethenyl)indol-1-yl]phenyl]phenyl]-3-ethylidene-1,1-dimethyl-2-prop-2-enylidenecyclopenta[b]carbazole has a molecular weight of 618.82 g/mol, XLogP of 12.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3E)-9-[4-[4-[2,3-bis(ethenyl)indol-1-yl]phenyl]phenyl]-3-ethylidene-1,1-dimethyl-2-prop-2-enylidenecyclopenta[b]carbazole is sourced from PubChem (CID 156642998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).