5-[3,5-bis(4-tert-butylphenyl)phenyl]-12H-indolo[3,2-c]carbazole

C44H40N2 — CID 175982941

IUPAC5-[3,5-bis(4-tert-butylphenyl)phenyl]-12H-indolo[3,2-c]carbazole
SMILESCC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-n3c4ccccc4c4c5[nH]c6ccccc6c5ccc43)c2)cc1
InChIInChI=1S/C44H40N2/c1-43(2,3)32-19-15-28(16-20-32)30-25-31(29-17-21-33(22-18-29)44(4,5)6)27-34(26-30)46-39-14-10-8-12-37(39)41-40(46)24-23-36-35-11-7-9-13-38(35)45-42(36)41/h7-27,45H,1-6H3
InChIKeyMISITYWAMAMSAP-UHFFFAOYSA-N
MW596.82 g/mol
LogP12.35
Rot. Bonds3

About 5-[3,5-bis(4-tert-butylphenyl)phenyl]-12H-indolo[3,2-c]carbazole

5-[3,5-bis(4-tert-butylphenyl)phenyl]-12H-indolo[3,2-c]carbazole (PubChem CID 175982941) has the molecular formula C44H40N2 and a molecular weight of 596.82 g/mol. Its IUPAC name is 5-[3,5-bis(4-tert-butylphenyl)phenyl]-12H-indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[3,5-bis(4-tert-butylphenyl)phenyl]-12H-indolo[3,2-c]carbazole
PubChem CID175982941
Molecular FormulaC44H40N2
Molecular Weight596.82 g/mol
Exact Mass596.32
IUPAC Name5-[3,5-bis(4-tert-butylphenyl)phenyl]-12H-indolo[3,2-c]carbazole
SMILESCC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-n3c4ccccc4c4c5[nH]c6ccccc6c5ccc43)c2)cc1
InChIInChI=1S/C44H40N2/c1-43(2,3)32-19-15-28(16-20-32)30-25-31(29-17-21-33(22-18-29)44(4,5)6)27-34(26-30)46-39-14-10-8-12-37(39)41-40(46)24-23-36-35-11-7-9-13-38(35)45-42(36)41/h7-27,45H,1-6H3
InChIKeyMISITYWAMAMSAP-UHFFFAOYSA-N
XLogP12.35
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.82
LogP ≤ 512.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1'-biphenyl;5-[3-(3-phenylphenyl)phenyl]-12H-indolo[3,2-c]carbazole
CID 142615329
9-(3,5-diphenylphenyl)-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 169059406
5-(2,3,4,5,6-pentadeuteriophenyl)-12H-indolo[3,2-c]carbazole
CID 142619140
4-tert-butyl-N-(4-carbazol-9-ylphenyl)-N-[4-(12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaen-12-yl)phenyl]aniline
CID 66585153
5-[9-[4-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 167259633
3-[9-[3-[3-(4-tert-butylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 167259635
9-(4-carbazol-9-ylphenyl)-14-(3,5-diphenylphenyl)-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 118318959
3-(9H-carbazol-2-yl)-9-(3-phenylphenyl)carbazole
CID 122652205
3-tert-butyl-5-(4-phenylphenyl)-10H-indolo[3,2-b]indole
CID 144609045
9-(3,5-diphenylphenyl)-14-triphenylen-2-yl-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 126731378
3-(4-tert-butylphenyl)-9H-carbazole
CID 91473096
12-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]-11H-indolo[2,3-a]carbazole
CID 170424202

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-bis(4-tert-butylphenyl)phenyl]-12H-indolo[3,2-c]carbazole?
The IUPAC name of 5-[3,5-bis(4-tert-butylphenyl)phenyl]-12H-indolo[3,2-c]carbazole (CID 175982941) is 5-[3,5-bis(4-tert-butylphenyl)phenyl]-12H-indolo[3,2-c]carbazole.
What is the SMILES notation for 5-[3,5-bis(4-tert-butylphenyl)phenyl]-12H-indolo[3,2-c]carbazole?
The canonical SMILES for 5-[3,5-bis(4-tert-butylphenyl)phenyl]-12H-indolo[3,2-c]carbazole is CC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-n3c4ccccc4c4c5[nH]c6ccccc6c5ccc43)c2)cc1.
What is the InChIKey of 5-[3,5-bis(4-tert-butylphenyl)phenyl]-12H-indolo[3,2-c]carbazole?
The InChIKey is MISITYWAMAMSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H40N2/c1-43(2,3)32-19-15-28(16-20-32)30-25-31(29-17-21-33(22-18-29)44(4,5)6)27-34(26-30)46-39-14-10-8-12-37(39)41-40(46)24-23-36-35-11-7-9-13-38(35)45-42(36)41/h7-27,45H,1-6H3.
What are the key properties of 5-[3,5-bis(4-tert-butylphenyl)phenyl]-12H-indolo[3,2-c]carbazole?
5-[3,5-bis(4-tert-butylphenyl)phenyl]-12H-indolo[3,2-c]carbazole has a molecular weight of 596.82 g/mol, XLogP of 12.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-bis(4-tert-butylphenyl)phenyl]-12H-indolo[3,2-c]carbazole is sourced from PubChem (CID 175982941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).