5-naphthalen-2-yl-11-phenyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indolo[3,2-b]carbazole;5-naphthalen-2-yl-7-phenyl-2-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-7H-indeno[2,1-b]carbazole

C118H76N4 — CID 157209496

IUPAC5-naphthalen-2-yl-11-phenyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indolo[3,2-b]carbazole;5-naphthalen-2-yl-7-phenyl-2-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-7H-indeno[2,1-b]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccc6ccccc6c5)c5ccccc5n7-c5ccccc5)ccc43)c2)cc1.c1ccc(-c2cccc(C3c4ccccc4-c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccc6ccccc6c5)C(c5ccccc5)c5ccccc5-7)ccc43)c2)cc1
InChIInChI=1S/C60H39N.C58H37N3/c1-3-14-38(15-4-1)41-20-13-21-45(32-41)60-50-25-12-9-22-47(50)52-34-43(27-30-51(52)60)44-28-31-57-54(35-44)55-36-53-48-23-10-11-24-49(48)59(40-17-5-2-6-18-40)56(53)37-58(55)61(57)46-29-26-39-16-7-8-19-42(39)33-46;1-3-14-38(15-4-1)41-18-13-21-45(32-41)60-54-25-12-9-22-47(54)49-34-42(27-30-55(49)60)43-28-31-56-50(35-43)52-37-57-51(48-23-10-11-24-53(48)59(57)44-19-5-2-6-20-44)36-58(52)61(56)46-29-26-39-16-7-8-17-40(39)33-46/h1-37,59-60H;1-37H
InChIKeyARSPPIJIICZLNS-UHFFFAOYSA-N
MW1549.93 g/mol
LogP31.06
Rot. Bonds10

About 5-naphthalen-2-yl-11-phenyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indolo[3,2-b]carbazole;5-naphthalen-2-yl-7-phenyl-2-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-7H-indeno[2,1-b]carbazole

5-naphthalen-2-yl-11-phenyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indolo[3,2-b]carbazole;5-naphthalen-2-yl-7-phenyl-2-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-7H-indeno[2,1-b]carbazole (PubChem CID 157209496) has the molecular formula C118H76N4 and a molecular weight of 1549.93 g/mol. Its IUPAC name is 5-naphthalen-2-yl-11-phenyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indolo[3,2-b]carbazole;5-naphthalen-2-yl-7-phenyl-2-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-7H-indeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-naphthalen-2-yl-11-phenyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indolo[3,2-b]carbazole;5-naphthalen-2-yl-7-phenyl-2-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-7H-indeno[2,1-b]carbazole
PubChem CID157209496
Molecular FormulaC118H76N4
Molecular Weight1549.93 g/mol
Exact Mass1548.61
IUPAC Name5-naphthalen-2-yl-11-phenyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indolo[3,2-b]carbazole;5-naphthalen-2-yl-7-phenyl-2-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-7H-indeno[2,1-b]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccc6ccccc6c5)c5ccccc5n7-c5ccccc5)ccc43)c2)cc1.c1ccc(-c2cccc(C3c4ccccc4-c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccc6ccccc6c5)C(c5ccccc5)c5ccccc5-7)ccc43)c2)cc1
InChIInChI=1S/C60H39N.C58H37N3/c1-3-14-38(15-4-1)41-20-13-21-45(32-41)60-50-25-12-9-22-47(50)52-34-43(27-30-51(52)60)44-28-31-57-54(35-44)55-36-53-48-23-10-11-24-49(48)59(40-17-5-2-6-18-40)56(53)37-58(55)61(57)46-29-26-39-16-7-8-19-42(39)33-46;1-3-14-38(15-4-1)41-18-13-21-45(32-41)60-54-25-12-9-22-47(54)49-34-42(27-30-55(49)60)43-28-31-56-50(35-43)52-37-57-51(48-23-10-11-24-53(48)59(57)44-19-5-2-6-20-44)36-58(52)61(56)46-29-26-39-16-7-8-17-40(39)33-46/h1-37,59-60H;1-37H
InChIKeyARSPPIJIICZLNS-UHFFFAOYSA-N
XLogP31.06
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms122
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001549.93
LogP ≤ 531.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-yl-11-phenyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indolo[3,2-b]carbazole;5-naphthalen-2-yl-7-phenyl-2-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-7H-indeno[2,1-b]carbazole?
The IUPAC name of 5-naphthalen-2-yl-11-phenyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indolo[3,2-b]carbazole;5-naphthalen-2-yl-7-phenyl-2-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-7H-indeno[2,1-b]carbazole (CID 157209496) is 5-naphthalen-2-yl-11-phenyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indolo[3,2-b]carbazole;5-naphthalen-2-yl-7-phenyl-2-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-7H-indeno[2,1-b]carbazole.
What is the SMILES notation for 5-naphthalen-2-yl-11-phenyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indolo[3,2-b]carbazole;5-naphthalen-2-yl-7-phenyl-2-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-7H-indeno[2,1-b]carbazole?
The canonical SMILES for 5-naphthalen-2-yl-11-phenyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indolo[3,2-b]carbazole;5-naphthalen-2-yl-7-phenyl-2-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-7H-indeno[2,1-b]carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccc6ccccc6c5)c5ccccc5n7-c5ccccc5)ccc43)c2)cc1.c1ccc(-c2cccc(C3c4ccccc4-c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccc6ccccc6c5)C(c5ccccc5)c5ccccc5-7)ccc43)c2)cc1.
What is the InChIKey of 5-naphthalen-2-yl-11-phenyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indolo[3,2-b]carbazole;5-naphthalen-2-yl-7-phenyl-2-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-7H-indeno[2,1-b]carbazole?
The InChIKey is ARSPPIJIICZLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N.C58H37N3/c1-3-14-38(15-4-1)41-20-13-21-45(32-41)60-50-25-12-9-22-47(50)52-34-43(27-30-51(52)60)44-28-31-57-54(35-44)55-36-53-48-23-10-11-24-49(48)59(40-17-5-2-6-18-40)56(53)37-58(55)61(57)46-29-26-39-16-7-8-19-42(39)33-46;1-3-14-38(15-4-1)41-18-13-21-45(32-41)60-54-25-12-9-22-47(54)49-34-42(27-30-55(49)60)43-28-31-56-50(35-43)52-37-57-51(48-23-10-11-24-53(48)59(57)44-19-5-2-6-20-44)36-58(52)61(56)46-29-26-39-16-7-8-17-40(39)33-46/h1-37,59-60H;1-37H.
What are the key properties of 5-naphthalen-2-yl-11-phenyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indolo[3,2-b]carbazole;5-naphthalen-2-yl-7-phenyl-2-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-7H-indeno[2,1-b]carbazole?
5-naphthalen-2-yl-11-phenyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indolo[3,2-b]carbazole;5-naphthalen-2-yl-7-phenyl-2-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-7H-indeno[2,1-b]carbazole has a molecular weight of 1549.93 g/mol, XLogP of 31.06, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-2-yl-11-phenyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indolo[3,2-b]carbazole;5-naphthalen-2-yl-7-phenyl-2-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-7H-indeno[2,1-b]carbazole is sourced from PubChem (CID 157209496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).