13-(9H-carbazol-3-yl)-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene

C37H24N2 — CID 140853285

IUPAC13-(9H-carbazol-3-yl)-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
SMILESc1ccc(C2(c3ccc4[nH]c5ccccc5c4c3)c3ccccc3-n3c4ccccc4c4cccc2c43)cc1
InChIInChI=1S/C37H24N2/c1-2-11-24(12-3-1)37(25-21-22-33-29(23-25)26-13-4-7-18-32(26)38-33)30-16-6-9-20-35(30)39-34-19-8-5-14-27(34)28-15-10-17-31(37)36(28)39/h1-23,38H
InChIKeyXGDIUEICJSBMNB-UHFFFAOYSA-N
MW496.61 g/mol
LogP9.11
Rot. Bonds2

About 13-(9H-carbazol-3-yl)-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene

13-(9H-carbazol-3-yl)-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene (PubChem CID 140853285) has the molecular formula C37H24N2 and a molecular weight of 496.61 g/mol. Its IUPAC name is 13-(9H-carbazol-3-yl)-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene.

Molecular Properties

Compound Name13-(9H-carbazol-3-yl)-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
PubChem CID140853285
Molecular FormulaC37H24N2
Molecular Weight496.61 g/mol
Exact Mass496.19
IUPAC Name13-(9H-carbazol-3-yl)-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
SMILESc1ccc(C2(c3ccc4[nH]c5ccccc5c4c3)c3ccccc3-n3c4ccccc4c4cccc2c43)cc1
InChIInChI=1S/C37H24N2/c1-2-11-24(12-3-1)37(25-21-22-33-29(23-25)26-13-4-7-18-32(26)38-33)30-16-6-9-20-35(30)39-34-19-8-5-14-27(34)28-15-10-17-31(37)36(28)39/h1-23,38H
InChIKeyXGDIUEICJSBMNB-UHFFFAOYSA-N
XLogP9.11
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 59.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 13-(9H-carbazol-3-yl)-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene with MolForge

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Related Compounds

13-(4-chlorophenyl)-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 139340772
molecular hydrogen;spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,21'-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]
CID 145314157
13-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 145273125
13-phenyl-13-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 145273077
13-phenyl-13-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 145273154
13-(3-dibenzofuran-2-ylphenyl)-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 145273046
13-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 154028256
13-(2-methylphenyl)-13-(3-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 146520184
N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 135167982
spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]
CID 135140118
13,13-diphenyl-3,20,31-triazanonacyclo[18.13.1.02,10.04,9.012,34.014,19.021,33.024,32.025,30]tetratriaconta-1,4,6,8,10,12(34),14,16,18,21(33),22,24(32),25,27,29-pentadecaene
CID 176917206
13-[4-(2-phenanthren-9-yl-6-phenylpyrimidin-4-yl)phenyl]-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 145273139

Frequently Asked Questions

What is the IUPAC name of 13-(9H-carbazol-3-yl)-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
The IUPAC name of 13-(9H-carbazol-3-yl)-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene (CID 140853285) is 13-(9H-carbazol-3-yl)-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene.
What is the SMILES notation for 13-(9H-carbazol-3-yl)-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
The canonical SMILES for 13-(9H-carbazol-3-yl)-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene is c1ccc(C2(c3ccc4[nH]c5ccccc5c4c3)c3ccccc3-n3c4ccccc4c4cccc2c43)cc1.
What is the InChIKey of 13-(9H-carbazol-3-yl)-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
The InChIKey is XGDIUEICJSBMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N2/c1-2-11-24(12-3-1)37(25-21-22-33-29(23-25)26-13-4-7-18-32(26)38-33)30-16-6-9-20-35(30)39-34-19-8-5-14-27(34)28-15-10-17-31(37)36(28)39/h1-23,38H.
What are the key properties of 13-(9H-carbazol-3-yl)-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
13-(9H-carbazol-3-yl)-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene has a molecular weight of 496.61 g/mol, XLogP of 9.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(9H-carbazol-3-yl)-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene is sourced from PubChem (CID 140853285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).