2-[9-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-7,8-dihydrocarbazol-3-yl]-5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-2-pyridinyl)-10H-cyclohepta[b]indole

C60H46N4 — CID 146280235

IUPAC2-[9-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-7,8-dihydrocarbazol-3-yl]-5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-2-pyridinyl)-10H-cyclohepta[b]indole
SMILESC1=CCc2c(n(-c3cc(C4C=CC=CC4)cc(-c4ccccc4)n3)c3ccc(-c4ccc5c(c4)c4c(n5-c5ccc6c(c5)c5ccccc5n6C5=CCCC=C5)CCC=C4)cc23)C=C1
InChIInChI=1S/C60H46N4/c1-5-17-40(18-6-1)44-37-53(41-19-7-2-8-20-41)61-60(38-44)64-56-26-12-4-11-23-48(56)51-36-43(30-33-59(51)64)42-29-32-57-50(35-42)47-24-13-16-28-55(47)63(57)46-31-34-58-52(39-46)49-25-14-15-27-54(49)62(58)45-21-9-3-10-22-45/h1-2,4-9,11-15,17,19-22,24-27,29-40H,3,10,16,18,23,28H2
InChIKeyHAMKDABNJXKPTQ-UHFFFAOYSA-N
MW823.06 g/mol
LogP15.29
Rot. Bonds6

About 2-[9-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-7,8-dihydrocarbazol-3-yl]-5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-2-pyridinyl)-10H-cyclohepta[b]indole

2-[9-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-7,8-dihydrocarbazol-3-yl]-5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-2-pyridinyl)-10H-cyclohepta[b]indole (PubChem CID 146280235) has the molecular formula C60H46N4 and a molecular weight of 823.06 g/mol. Its IUPAC name is 2-[9-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-7,8-dihydrocarbazol-3-yl]-5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-2-pyridinyl)-10H-cyclohepta[b]indole.

Molecular Properties

Compound Name2-[9-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-7,8-dihydrocarbazol-3-yl]-5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-2-pyridinyl)-10H-cyclohepta[b]indole
PubChem CID146280235
Molecular FormulaC60H46N4
Molecular Weight823.06 g/mol
Exact Mass822.37
IUPAC Name2-[9-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-7,8-dihydrocarbazol-3-yl]-5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-2-pyridinyl)-10H-cyclohepta[b]indole
SMILESC1=CCc2c(n(-c3cc(C4C=CC=CC4)cc(-c4ccccc4)n3)c3ccc(-c4ccc5c(c4)c4c(n5-c5ccc6c(c5)c5ccccc5n6C5=CCCC=C5)CCC=C4)cc23)C=C1
InChIInChI=1S/C60H46N4/c1-5-17-40(18-6-1)44-37-53(41-19-7-2-8-20-41)61-60(38-44)64-56-26-12-4-11-23-48(56)51-36-43(30-33-59(51)64)42-29-32-57-50(35-42)47-24-13-16-28-55(47)63(57)46-31-34-58-52(39-46)49-25-14-15-27-54(49)62(58)45-21-9-3-10-22-45/h1-2,4-9,11-15,17,19-22,24-27,29-40H,3,10,16,18,23,28H2
InChIKeyHAMKDABNJXKPTQ-UHFFFAOYSA-N
XLogP15.29
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.06
LogP ≤ 515.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[9-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-7,8-dihydrocarbazol-3-yl]-5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-2-pyridinyl)-10H-cyclohepta[b]indole with MolForge

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Related Compounds

3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571
11-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydroindolo[3,2-b]carbazole
CID 170138762
5-[6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-10H-cyclohepta[b]indole
CID 144673812
11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydroindolo[3,2-b]carbazole
CID 170137926
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 123699580
3-carbazol-9-yl-6-(1,2-dihydrocarbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole
CID 168748082
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole;9-phenyl-3-[9-(4-phenylpyrimidin-2-yl)-7,8-dihydrocarbazol-3-yl]carbazole
CID 161261122
5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenyl-8,9-dihydroindolo[2,3-b]carbazole
CID 149205020
9-cyclohexa-1,5-dien-1-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 155112233
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 149407778
14-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),18-octaene
CID 170123117
3-[9-[3-(3-cyclohexa-2,4-dien-1-ylphenyl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 170076078

Frequently Asked Questions

What is the IUPAC name of 2-[9-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-7,8-dihydrocarbazol-3-yl]-5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-2-pyridinyl)-10H-cyclohepta[b]indole?
The IUPAC name of 2-[9-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-7,8-dihydrocarbazol-3-yl]-5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-2-pyridinyl)-10H-cyclohepta[b]indole (CID 146280235) is 2-[9-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-7,8-dihydrocarbazol-3-yl]-5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-2-pyridinyl)-10H-cyclohepta[b]indole.
What is the SMILES notation for 2-[9-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-7,8-dihydrocarbazol-3-yl]-5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-2-pyridinyl)-10H-cyclohepta[b]indole?
The canonical SMILES for 2-[9-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-7,8-dihydrocarbazol-3-yl]-5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-2-pyridinyl)-10H-cyclohepta[b]indole is C1=CCc2c(n(-c3cc(C4C=CC=CC4)cc(-c4ccccc4)n3)c3ccc(-c4ccc5c(c4)c4c(n5-c5ccc6c(c5)c5ccccc5n6C5=CCCC=C5)CCC=C4)cc23)C=C1.
What is the InChIKey of 2-[9-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-7,8-dihydrocarbazol-3-yl]-5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-2-pyridinyl)-10H-cyclohepta[b]indole?
The InChIKey is HAMKDABNJXKPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H46N4/c1-5-17-40(18-6-1)44-37-53(41-19-7-2-8-20-41)61-60(38-44)64-56-26-12-4-11-23-48(56)51-36-43(30-33-59(51)64)42-29-32-57-50(35-42)47-24-13-16-28-55(47)63(57)46-31-34-58-52(39-46)49-25-14-15-27-54(49)62(58)45-21-9-3-10-22-45/h1-2,4-9,11-15,17,19-22,24-27,29-40H,3,10,16,18,23,28H2.
What are the key properties of 2-[9-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-7,8-dihydrocarbazol-3-yl]-5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-2-pyridinyl)-10H-cyclohepta[b]indole?
2-[9-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-7,8-dihydrocarbazol-3-yl]-5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-2-pyridinyl)-10H-cyclohepta[b]indole has a molecular weight of 823.06 g/mol, XLogP of 15.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-7,8-dihydrocarbazol-3-yl]-5-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-2-pyridinyl)-10H-cyclohepta[b]indole is sourced from PubChem (CID 146280235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).