2,7-dibromo-10-cyclohexa-1,3-dien-1-yl-5-phenyl-5a,9a-dihydroindolo[3,2-b]indole

C26H20Br2N2 — CID 145073971

IUPAC2,7-dibromo-10-cyclohexa-1,3-dien-1-yl-5-phenyl-5a,9a-dihydroindolo[3,2-b]indole
SMILESBrC1=CC2C(C=C1)c1c(c3ccc(Br)cc3n1C1=CC=CCC1)N2c1ccccc1
InChIInChI=1S/C26H20Br2N2/c27-17-11-13-21-23(15-17)29(19-7-3-1-4-8-19)25-22-14-12-18(28)16-24(22)30(26(21)25)20-9-5-2-6-10-20/h1-5,7-9,11-16,21,23H,6,10H2
InChIKeyJCYAPSNMXSEPQT-UHFFFAOYSA-N
MW520.27 g/mol
LogP8.05
Rot. Bonds2

About 2,7-dibromo-10-cyclohexa-1,3-dien-1-yl-5-phenyl-5a,9a-dihydroindolo[3,2-b]indole

2,7-dibromo-10-cyclohexa-1,3-dien-1-yl-5-phenyl-5a,9a-dihydroindolo[3,2-b]indole (PubChem CID 145073971) has the molecular formula C26H20Br2N2 and a molecular weight of 520.27 g/mol. Its IUPAC name is 2,7-dibromo-10-cyclohexa-1,3-dien-1-yl-5-phenyl-5a,9a-dihydroindolo[3,2-b]indole.

Molecular Properties

Compound Name2,7-dibromo-10-cyclohexa-1,3-dien-1-yl-5-phenyl-5a,9a-dihydroindolo[3,2-b]indole
PubChem CID145073971
Molecular FormulaC26H20Br2N2
Molecular Weight520.27 g/mol
Exact Mass518.00
IUPAC Name2,7-dibromo-10-cyclohexa-1,3-dien-1-yl-5-phenyl-5a,9a-dihydroindolo[3,2-b]indole
SMILESBrC1=CC2C(C=C1)c1c(c3ccc(Br)cc3n1C1=CC=CCC1)N2c1ccccc1
InChIInChI=1S/C26H20Br2N2/c27-17-11-13-21-23(15-17)29(19-7-3-1-4-8-19)25-22-14-12-18(28)16-24(22)30(26(21)25)20-9-5-2-6-10-20/h1-5,7-9,11-16,21,23H,6,10H2
InChIKeyJCYAPSNMXSEPQT-UHFFFAOYSA-N
XLogP8.05
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.27
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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15-bromo-3-cyclohexa-1,3-dien-1-yl-11-phenyl-3,11-diazatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,7,12(17),13,15-heptaene
CID 144631960
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CID 145280447
9-cyclohexa-1,3-dien-1-yl-N-phenyl-N-[4-[4-(N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 67892046
9-cyclohexa-1,3-dien-1-yl-3-[3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)cyclohexen-1-yl]carbazole
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CID 129163447
9-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134442711
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12-cyclohexa-1,3-dien-1-yl-5-[4-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]indolo[3,2-c]carbazole
CID 170206804
9-cyclohexa-1,3-dien-1-yl-N-phenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 70821591
5-cyclohexa-1,3-dien-1-yl-11-methyl-2-N,2-N,9-N,9-N-tetraphenyl-11H-indeno[1,2-b]carbazole-2,9-diamine
CID 70866431

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-10-cyclohexa-1,3-dien-1-yl-5-phenyl-5a,9a-dihydroindolo[3,2-b]indole?
The IUPAC name of 2,7-dibromo-10-cyclohexa-1,3-dien-1-yl-5-phenyl-5a,9a-dihydroindolo[3,2-b]indole (CID 145073971) is 2,7-dibromo-10-cyclohexa-1,3-dien-1-yl-5-phenyl-5a,9a-dihydroindolo[3,2-b]indole.
What is the SMILES notation for 2,7-dibromo-10-cyclohexa-1,3-dien-1-yl-5-phenyl-5a,9a-dihydroindolo[3,2-b]indole?
The canonical SMILES for 2,7-dibromo-10-cyclohexa-1,3-dien-1-yl-5-phenyl-5a,9a-dihydroindolo[3,2-b]indole is BrC1=CC2C(C=C1)c1c(c3ccc(Br)cc3n1C1=CC=CCC1)N2c1ccccc1.
What is the InChIKey of 2,7-dibromo-10-cyclohexa-1,3-dien-1-yl-5-phenyl-5a,9a-dihydroindolo[3,2-b]indole?
The InChIKey is JCYAPSNMXSEPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Br2N2/c27-17-11-13-21-23(15-17)29(19-7-3-1-4-8-19)25-22-14-12-18(28)16-24(22)30(26(21)25)20-9-5-2-6-10-20/h1-5,7-9,11-16,21,23H,6,10H2.
What are the key properties of 2,7-dibromo-10-cyclohexa-1,3-dien-1-yl-5-phenyl-5a,9a-dihydroindolo[3,2-b]indole?
2,7-dibromo-10-cyclohexa-1,3-dien-1-yl-5-phenyl-5a,9a-dihydroindolo[3,2-b]indole has a molecular weight of 520.27 g/mol, XLogP of 8.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-10-cyclohexa-1,3-dien-1-yl-5-phenyl-5a,9a-dihydroindolo[3,2-b]indole is sourced from PubChem (CID 145073971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).