14-(4-carbazol-9-ylphenyl)-1,3,10,18-tetrazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-2,4,6,8,11(16),12,14,17,19,21,23-undecaen-25-one

C39H23N5O — CID 165126101

IUPAC14-(4-carbazol-9-ylphenyl)-1,3,10,18-tetrazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-2,4,6,8,11(16),12,14,17,19,21,23-undecaen-25-one
SMILESO=c1c2ccccc2nc2c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc3n3c4ccccc4nc3n12
InChIInChI=1S/C39H23N5O/c45-38-29-11-1-4-12-31(29)40-37-30-23-25(19-22-35(30)43-36-16-8-5-13-32(36)41-39(43)44(37)38)24-17-20-26(21-18-24)42-33-14-6-2-9-27(33)28-10-3-7-15-34(28)42/h1-23H
InChIKeyRKPHJAMHFCYELU-UHFFFAOYSA-N
MW577.65 g/mol
LogP8.57
Rot. Bonds2

About 14-(4-carbazol-9-ylphenyl)-1,3,10,18-tetrazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-2,4,6,8,11(16),12,14,17,19,21,23-undecaen-25-one

14-(4-carbazol-9-ylphenyl)-1,3,10,18-tetrazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-2,4,6,8,11(16),12,14,17,19,21,23-undecaen-25-one (PubChem CID 165126101) has the molecular formula C39H23N5O and a molecular weight of 577.65 g/mol. Its IUPAC name is 14-(4-carbazol-9-ylphenyl)-1,3,10,18-tetrazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-2,4,6,8,11(16),12,14,17,19,21,23-undecaen-25-one.

Molecular Properties

Compound Name14-(4-carbazol-9-ylphenyl)-1,3,10,18-tetrazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-2,4,6,8,11(16),12,14,17,19,21,23-undecaen-25-one
PubChem CID165126101
Molecular FormulaC39H23N5O
Molecular Weight577.65 g/mol
Exact Mass577.19
IUPAC Name14-(4-carbazol-9-ylphenyl)-1,3,10,18-tetrazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-2,4,6,8,11(16),12,14,17,19,21,23-undecaen-25-one
SMILESO=c1c2ccccc2nc2c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc3n3c4ccccc4nc3n12
InChIInChI=1S/C39H23N5O/c45-38-29-11-1-4-12-31(29)40-37-30-23-25(19-22-35(30)43-36-16-8-5-13-32(36)41-39(43)44(37)38)24-17-20-26(21-18-24)42-33-14-6-2-9-27(33)28-10-3-7-15-34(28)42/h1-23H
InChIKeyRKPHJAMHFCYELU-UHFFFAOYSA-N
XLogP8.57
TPSA56.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.65
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 14-(4-carbazol-9-ylphenyl)-1,3,10,18-tetrazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-2,4,6,8,11(16),12,14,17,19,21,23-undecaen-25-one with MolForge

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Related Compounds

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6-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
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4-(9-phenylcarbazol-3-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 149202227
10-(3,6-diphenylcarbazol-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 58038256
14-(4-carbazol-9-ylphenyl)-3,10,18-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene
CID 71230261
6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
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6-[4-(3,5-diphenylphenyl)phenyl]benzimidazolo[1,2-a]quinazolin-5-one
CID 163539997
5-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzimidazolo[1,2-c]quinazolin-6-one
CID 164776394
6-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[3-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 158963688
24-(4-carbazol-9-ylphenyl)-13-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3,10-triazaheptacyclo[15.10.1.02,10.04,9.011,16.021,28.022,27]octacosa-2,4,6,8,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene
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9-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)indolo[3,2-b]quinoxaline
CID 90336687

Frequently Asked Questions

What is the IUPAC name of 14-(4-carbazol-9-ylphenyl)-1,3,10,18-tetrazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-2,4,6,8,11(16),12,14,17,19,21,23-undecaen-25-one?
The IUPAC name of 14-(4-carbazol-9-ylphenyl)-1,3,10,18-tetrazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-2,4,6,8,11(16),12,14,17,19,21,23-undecaen-25-one (CID 165126101) is 14-(4-carbazol-9-ylphenyl)-1,3,10,18-tetrazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-2,4,6,8,11(16),12,14,17,19,21,23-undecaen-25-one.
What is the SMILES notation for 14-(4-carbazol-9-ylphenyl)-1,3,10,18-tetrazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-2,4,6,8,11(16),12,14,17,19,21,23-undecaen-25-one?
The canonical SMILES for 14-(4-carbazol-9-ylphenyl)-1,3,10,18-tetrazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-2,4,6,8,11(16),12,14,17,19,21,23-undecaen-25-one is O=c1c2ccccc2nc2c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc3n3c4ccccc4nc3n12.
What is the InChIKey of 14-(4-carbazol-9-ylphenyl)-1,3,10,18-tetrazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-2,4,6,8,11(16),12,14,17,19,21,23-undecaen-25-one?
The InChIKey is RKPHJAMHFCYELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23N5O/c45-38-29-11-1-4-12-31(29)40-37-30-23-25(19-22-35(30)43-36-16-8-5-13-32(36)41-39(43)44(37)38)24-17-20-26(21-18-24)42-33-14-6-2-9-27(33)28-10-3-7-15-34(28)42/h1-23H.
What are the key properties of 14-(4-carbazol-9-ylphenyl)-1,3,10,18-tetrazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-2,4,6,8,11(16),12,14,17,19,21,23-undecaen-25-one?
14-(4-carbazol-9-ylphenyl)-1,3,10,18-tetrazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-2,4,6,8,11(16),12,14,17,19,21,23-undecaen-25-one has a molecular weight of 577.65 g/mol, XLogP of 8.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(4-carbazol-9-ylphenyl)-1,3,10,18-tetrazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-2,4,6,8,11(16),12,14,17,19,21,23-undecaen-25-one is sourced from PubChem (CID 165126101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).