4-[4-[3-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

C64H39N3 — CID 118179733

IUPAC4-[4-[3-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
SMILESc1ccc2c(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7ccc8c9cccc%10c%11ccccc%11n(c8c7)c%109)cc6)cc5)ccc43)cccc2c1
InChIInChI=1S/C64H39N3/c1-2-13-48-43(11-1)12-9-22-57(48)66-59-20-7-5-16-51(59)56-38-45(31-36-62(56)66)41-25-23-40(24-26-41)44-30-35-61-55(37-44)50-15-4-6-19-58(50)65(61)47-32-27-42(28-33-47)46-29-34-52-54-18-10-17-53-49-14-3-8-21-60(49)67(64(53)54)63(52)39-46/h1-39H
InChIKeyKNNLADYNBUQHCI-UHFFFAOYSA-N
MW850.04 g/mol
LogP17.19
Rot. Bonds5

About 4-[4-[3-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

4-[4-[3-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene (PubChem CID 118179733) has the molecular formula C64H39N3 and a molecular weight of 850.04 g/mol. Its IUPAC name is 4-[4-[3-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene.

Molecular Properties

Compound Name4-[4-[3-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
PubChem CID118179733
Molecular FormulaC64H39N3
Molecular Weight850.04 g/mol
Exact Mass849.31
IUPAC Name4-[4-[3-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
SMILESc1ccc2c(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7ccc8c9cccc%10c%11ccccc%11n(c8c7)c%109)cc6)cc5)ccc43)cccc2c1
InChIInChI=1S/C64H39N3/c1-2-13-48-43(11-1)12-9-22-57(48)66-59-20-7-5-16-51(59)56-38-45(31-36-62(56)66)41-25-23-40(24-26-41)44-30-35-61-55(37-44)50-15-4-6-19-58(50)65(61)47-32-27-42(28-33-47)46-29-34-52-54-18-10-17-53-49-14-3-8-21-60(49)67(64(53)54)63(52)39-46/h1-39H
InChIKeyKNNLADYNBUQHCI-UHFFFAOYSA-N
XLogP17.19
TPSA14.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.04
LogP ≤ 517.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[4-[3-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene with MolForge

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Related Compounds

4-[4-[3-(9-phenanthren-9-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 118179769
2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 142356851
4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 118179751
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159733846
4-[4-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 118179695
5-naphthalen-1-yl-12-[4-(9-phenylcarbazol-3-yl)phenyl]indolo[3,2-c]carbazole
CID 134168763
4-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 118422800
4-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 118179732
12-naphthalen-1-yl-11-[4-(9-phenylcarbazol-2-yl)phenyl]indolo[2,3-a]carbazole
CID 134168605
4-[3-[3-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 118179746
16-(9-phenylcarbazol-3-yl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(23),2,4,6,8,10,13(18),14,16,19,21-undecaene
CID 153449380
4-[9-phenyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;4-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[9-phenyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;10-[9-phenyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 157089999

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
The IUPAC name of 4-[4-[3-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene (CID 118179733) is 4-[4-[3-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene.
What is the SMILES notation for 4-[4-[3-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
The canonical SMILES for 4-[4-[3-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene is c1ccc2c(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7ccc8c9cccc%10c%11ccccc%11n(c8c7)c%109)cc6)cc5)ccc43)cccc2c1.
What is the InChIKey of 4-[4-[3-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
The InChIKey is KNNLADYNBUQHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H39N3/c1-2-13-48-43(11-1)12-9-22-57(48)66-59-20-7-5-16-51(59)56-38-45(31-36-62(56)66)41-25-23-40(24-26-41)44-30-35-61-55(37-44)50-15-4-6-19-58(50)65(61)47-32-27-42(28-33-47)46-29-34-52-54-18-10-17-53-49-14-3-8-21-60(49)67(64(53)54)63(52)39-46/h1-39H.
What are the key properties of 4-[4-[3-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
4-[4-[3-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene has a molecular weight of 850.04 g/mol, XLogP of 17.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene is sourced from PubChem (CID 118179733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).