5-phenyl-12-[3-[3-[3-(5-phenyl-12H-indeno[1,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]indolo[3,2-c]carbazole

C67H43N3 — CID 58038425

IUPAC5-phenyl-12-[3-[3-[3-(5-phenyl-12H-indeno[1,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]indolo[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4c2cccc(-c3cccc(-c4cccc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)c4)c3)c2)cc1
InChIInChI=1S/C67H43N3/c1-3-23-48(24-4-1)68-59-34-13-10-31-56(59)64-61(68)38-36-54-51-28-7-8-30-53(51)63(66(54)64)47-22-16-20-45(41-47)43-18-15-19-44(40-43)46-21-17-27-50(42-46)70-58-33-12-9-29-52(58)55-37-39-62-65(67(55)70)57-32-11-14-35-60(57)69(62)49-25-5-2-6-26-49/h1-42,63H
InChIKeyWMYZDFBWERCNFJ-UHFFFAOYSA-N
MW890.10 g/mol
LogP17.47
Rot. Bonds6

About 5-phenyl-12-[3-[3-[3-(5-phenyl-12H-indeno[1,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]indolo[3,2-c]carbazole

5-phenyl-12-[3-[3-[3-(5-phenyl-12H-indeno[1,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]indolo[3,2-c]carbazole (PubChem CID 58038425) has the molecular formula C67H43N3 and a molecular weight of 890.10 g/mol. Its IUPAC name is 5-phenyl-12-[3-[3-[3-(5-phenyl-12H-indeno[1,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-phenyl-12-[3-[3-[3-(5-phenyl-12H-indeno[1,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]indolo[3,2-c]carbazole
PubChem CID58038425
Molecular FormulaC67H43N3
Molecular Weight890.10 g/mol
Exact Mass889.35
IUPAC Name5-phenyl-12-[3-[3-[3-(5-phenyl-12H-indeno[1,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]indolo[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4c2cccc(-c3cccc(-c4cccc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)c4)c3)c2)cc1
InChIInChI=1S/C67H43N3/c1-3-23-48(24-4-1)68-59-34-13-10-31-56(59)64-61(68)38-36-54-51-28-7-8-30-53(51)63(66(54)64)47-22-16-20-45(41-47)43-18-15-19-44(40-43)46-21-17-27-50(42-46)70-58-33-12-9-29-52(58)55-37-39-62-65(67(55)70)57-32-11-14-35-60(57)69(62)49-25-5-2-6-26-49/h1-42,63H
InChIKeyWMYZDFBWERCNFJ-UHFFFAOYSA-N
XLogP17.47
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500890.10
LogP ≤ 517.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenyl-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 153011834
5-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-12-(4-phenylphenyl)-12H-indeno[1,2-c]carbazole
CID 122469745
5-(3-phenylphenyl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 164847593
12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 134168741
11-naphthalen-2-yl-8-(9-naphthalen-1-ylcarbazol-3-yl)-12-phenyl-12H-indeno[2,1-a]carbazole;12-naphthalen-2-yl-9-(9-naphthalen-1-ylcarbazol-3-yl)-5-phenylindolo[3,2-c]carbazole;5-naphthalen-2-yl-2-(9-naphthalen-1-yl-9H-fluoren-3-yl)-12-phenyl-12H-indeno[1,2-c]carbazole
CID 158516176
4-carbazol-9-yl-9-[3-[3-(9H-fluoren-9-yl)phenyl]phenyl]carbazole
CID 164800354
5-(3-phenylphenyl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126656172
12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598833
12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168746
5,12-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598848
5-phenyl-12-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
CID 134168773
5-[3-[3-[1-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 146226899

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-12-[3-[3-[3-(5-phenyl-12H-indeno[1,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]indolo[3,2-c]carbazole?
The IUPAC name of 5-phenyl-12-[3-[3-[3-(5-phenyl-12H-indeno[1,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]indolo[3,2-c]carbazole (CID 58038425) is 5-phenyl-12-[3-[3-[3-(5-phenyl-12H-indeno[1,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]indolo[3,2-c]carbazole.
What is the SMILES notation for 5-phenyl-12-[3-[3-[3-(5-phenyl-12H-indeno[1,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]indolo[3,2-c]carbazole?
The canonical SMILES for 5-phenyl-12-[3-[3-[3-(5-phenyl-12H-indeno[1,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]indolo[3,2-c]carbazole is c1ccc(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4c2cccc(-c3cccc(-c4cccc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)c4)c3)c2)cc1.
What is the InChIKey of 5-phenyl-12-[3-[3-[3-(5-phenyl-12H-indeno[1,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]indolo[3,2-c]carbazole?
The InChIKey is WMYZDFBWERCNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H43N3/c1-3-23-48(24-4-1)68-59-34-13-10-31-56(59)64-61(68)38-36-54-51-28-7-8-30-53(51)63(66(54)64)47-22-16-20-45(41-47)43-18-15-19-44(40-43)46-21-17-27-50(42-46)70-58-33-12-9-29-52(58)55-37-39-62-65(67(55)70)57-32-11-14-35-60(57)69(62)49-25-5-2-6-26-49/h1-42,63H.
What are the key properties of 5-phenyl-12-[3-[3-[3-(5-phenyl-12H-indeno[1,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]indolo[3,2-c]carbazole?
5-phenyl-12-[3-[3-[3-(5-phenyl-12H-indeno[1,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]indolo[3,2-c]carbazole has a molecular weight of 890.10 g/mol, XLogP of 17.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-12-[3-[3-[3-(5-phenyl-12H-indeno[1,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 58038425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).