10-(4a,9a-dihydrocarbazol-9-yl)-2-carbazol-9-yl-5,7-dihydroindolo[2,3-b]carbazole

C42H28N4 — CID 163728955

IUPAC10-(4a,9a-dihydrocarbazol-9-yl)-2-carbazol-9-yl-5,7-dihydroindolo[2,3-b]carbazole
SMILESC1=CC2c3ccccc3N(c3ccc4[nH]c5cc6[nH]c7ccc(-n8c9ccccc9c9ccccc98)cc7c6cc5c4c3)C2C=C1
InChIInChI=1S/C42H28N4/c1-5-13-39-27(9-1)28-10-2-6-14-40(28)45(39)25-17-19-35-31(21-25)33-23-34-32-22-26(18-20-36(32)44-38(34)24-37(33)43-35)46-41-15-7-3-11-29(41)30-12-4-8-16-42(30)46/h1-24,27,39,43-44H
InChIKeyKXYMXZDWXAMCHQ-UHFFFAOYSA-N
MW588.71 g/mol
LogP10.78
Rot. Bonds2

About 10-(4a,9a-dihydrocarbazol-9-yl)-2-carbazol-9-yl-5,7-dihydroindolo[2,3-b]carbazole

10-(4a,9a-dihydrocarbazol-9-yl)-2-carbazol-9-yl-5,7-dihydroindolo[2,3-b]carbazole (PubChem CID 163728955) has the molecular formula C42H28N4 and a molecular weight of 588.71 g/mol. Its IUPAC name is 10-(4a,9a-dihydrocarbazol-9-yl)-2-carbazol-9-yl-5,7-dihydroindolo[2,3-b]carbazole.

Molecular Properties

Compound Name10-(4a,9a-dihydrocarbazol-9-yl)-2-carbazol-9-yl-5,7-dihydroindolo[2,3-b]carbazole
PubChem CID163728955
Molecular FormulaC42H28N4
Molecular Weight588.71 g/mol
Exact Mass588.23
IUPAC Name10-(4a,9a-dihydrocarbazol-9-yl)-2-carbazol-9-yl-5,7-dihydroindolo[2,3-b]carbazole
SMILESC1=CC2c3ccccc3N(c3ccc4[nH]c5cc6[nH]c7ccc(-n8c9ccccc9c9ccccc98)cc7c6cc5c4c3)C2C=C1
InChIInChI=1S/C42H28N4/c1-5-13-39-27(9-1)28-10-2-6-14-40(28)45(39)25-17-19-35-31(21-25)33-23-34-32-22-26(18-20-36(32)44-38(34)24-37(33)43-35)46-41-15-7-3-11-29(41)30-12-4-8-16-42(30)46/h1-24,27,39,43-44H
InChIKeyKXYMXZDWXAMCHQ-UHFFFAOYSA-N
XLogP10.78
TPSA39.75 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.71
LogP ≤ 510.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

9-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazole
CID 155323557
9-[18-[[18-(4a,9a-dihydrocarbazol-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]sulfanyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]carbazole
CID 67953610
9-[4-[[3-[[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]methyl]-5-[(4-carbazol-9-ylphenyl)methyl]phenyl]methyl]phenyl]carbazole
CID 70971569
9-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-1-yl]carbazole
CID 166928424
9-[6-[3-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]carbazole
CID 163719008
9-[4-[[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-phenylphosphoryl]phenyl]carbazole
CID 139471437
3-(4a,9a-dihydrocarbazol-9-yl)-9-[4-(2-tert-butyl-4,4-dimethylpentyl)phenyl]-6-carbazol-9-ylcarbazole
CID 147171657
9-[4-[5-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2,6-dinaphthalen-2-ylpyrrolo[2,3-f]indol-1-yl]phenyl]carbazole
CID 70669587
9-[3-(4a,9a-dihydrocarbazol-9-yl)-9,9'-spirobi[xanthene]-2'-yl]carbazole
CID 163901342
5,11-bis(3-carbazol-9-ylphenyl)-4a,12b-dihydroindolo[3,2-b]carbazole
CID 170205828
5-phenyl-11,12b-dihydro-4aH-indolo[3,2-b]carbazole
CID 66585340
3-carbazol-9-yl-9-[9-[9-[9-[9-[9-(9H-carbazol-3-yl)carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazole
CID 25208834

Frequently Asked Questions

What is the IUPAC name of 10-(4a,9a-dihydrocarbazol-9-yl)-2-carbazol-9-yl-5,7-dihydroindolo[2,3-b]carbazole?
The IUPAC name of 10-(4a,9a-dihydrocarbazol-9-yl)-2-carbazol-9-yl-5,7-dihydroindolo[2,3-b]carbazole (CID 163728955) is 10-(4a,9a-dihydrocarbazol-9-yl)-2-carbazol-9-yl-5,7-dihydroindolo[2,3-b]carbazole.
What is the SMILES notation for 10-(4a,9a-dihydrocarbazol-9-yl)-2-carbazol-9-yl-5,7-dihydroindolo[2,3-b]carbazole?
The canonical SMILES for 10-(4a,9a-dihydrocarbazol-9-yl)-2-carbazol-9-yl-5,7-dihydroindolo[2,3-b]carbazole is C1=CC2c3ccccc3N(c3ccc4[nH]c5cc6[nH]c7ccc(-n8c9ccccc9c9ccccc98)cc7c6cc5c4c3)C2C=C1.
What is the InChIKey of 10-(4a,9a-dihydrocarbazol-9-yl)-2-carbazol-9-yl-5,7-dihydroindolo[2,3-b]carbazole?
The InChIKey is KXYMXZDWXAMCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N4/c1-5-13-39-27(9-1)28-10-2-6-14-40(28)45(39)25-17-19-35-31(21-25)33-23-34-32-22-26(18-20-36(32)44-38(34)24-37(33)43-35)46-41-15-7-3-11-29(41)30-12-4-8-16-42(30)46/h1-24,27,39,43-44H.
What are the key properties of 10-(4a,9a-dihydrocarbazol-9-yl)-2-carbazol-9-yl-5,7-dihydroindolo[2,3-b]carbazole?
10-(4a,9a-dihydrocarbazol-9-yl)-2-carbazol-9-yl-5,7-dihydroindolo[2,3-b]carbazole has a molecular weight of 588.71 g/mol, XLogP of 10.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4a,9a-dihydrocarbazol-9-yl)-2-carbazol-9-yl-5,7-dihydroindolo[2,3-b]carbazole is sourced from PubChem (CID 163728955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).