10-[3-(3-carbazol-9-yl-5-isocyanophenyl)phenyl]-20-phenyl-5,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene

C48H29N5 — CID 153437444

IUPAC10-[3-(3-carbazol-9-yl-5-isocyanophenyl)phenyl]-20-phenyl-5,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
SMILES[C-]#[N+]c1cc(-c2cccc(-n3c4cc5c6ccccc6n(-c6ccccc6)c5cc4c4ncccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C48H29N5/c1-49-33-25-32(27-36(28-33)53-42-20-8-5-17-37(42)38-18-6-9-21-43(38)53)31-13-11-16-35(26-31)52-45-23-12-24-50-48(45)41-30-46-40(29-47(41)52)39-19-7-10-22-44(39)51(46)34-14-3-2-4-15-34/h2-30H
InChIKeyXCXMQPWCSJYBQH-UHFFFAOYSA-N
MW675.80 g/mol
LogP12.59
Rot. Bonds4

About 10-[3-(3-carbazol-9-yl-5-isocyanophenyl)phenyl]-20-phenyl-5,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene

10-[3-(3-carbazol-9-yl-5-isocyanophenyl)phenyl]-20-phenyl-5,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene (PubChem CID 153437444) has the molecular formula C48H29N5 and a molecular weight of 675.80 g/mol. Its IUPAC name is 10-[3-(3-carbazol-9-yl-5-isocyanophenyl)phenyl]-20-phenyl-5,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene.

Molecular Properties

Compound Name10-[3-(3-carbazol-9-yl-5-isocyanophenyl)phenyl]-20-phenyl-5,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
PubChem CID153437444
Molecular FormulaC48H29N5
Molecular Weight675.80 g/mol
Exact Mass675.24
IUPAC Name10-[3-(3-carbazol-9-yl-5-isocyanophenyl)phenyl]-20-phenyl-5,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
SMILES[C-]#[N+]c1cc(-c2cccc(-n3c4cc5c6ccccc6n(-c6ccccc6)c5cc4c4ncccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C48H29N5/c1-49-33-25-32(27-36(28-33)53-42-20-8-5-17-37(42)38-18-6-9-21-43(38)53)31-13-11-16-35(26-31)52-45-23-12-24-50-48(45)41-30-46-40(29-47(41)52)39-19-7-10-22-44(39)51(46)34-14-3-2-4-15-34/h2-30H
InChIKeyXCXMQPWCSJYBQH-UHFFFAOYSA-N
XLogP12.59
TPSA32.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.80
LogP ≤ 512.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 10-[3-(3-carbazol-9-yl-5-isocyanophenyl)phenyl]-20-phenyl-5,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene with MolForge

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Related Compounds

9-[3-isocyano-5-[3-(20-phenyl-3,8,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-3-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 153437521
8-(9-phenylcarbazol-2-yl)-5-(3-phenylphenyl)pyrido[3,2-b]indole;8-(9-phenylcarbazol-2-yl)-5-(4-phenylphenyl)pyrido[3,2-b]indole;5-(3-phenylphenyl)-8-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[3,2-b]indole
CID 161395661
9-[3-[3-(20-phenyl-5,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-10-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 139575294
8-[9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole
CID 129221984
3-(3-isocyanocarbazol-9-yl)-5-[3-(9-phenyl-9,15,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-20-yl)phenyl]benzonitrile
CID 153437513
5,11-bis(3-phenylphenyl)indolo[3,2-b]carbazole;11-(3,5-diphenylphenyl)-5-phenylindolo[3,2-b]carbazole;5-phenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 160597289
5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 129221991
8-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole
CID 118587585
7-[9-[3-(3,5-dipyridin-2-ylphenyl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole
CID 129221946
9-[3-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-4,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 146973645
5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 118587602
5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 118587590

Frequently Asked Questions

What is the IUPAC name of 10-[3-(3-carbazol-9-yl-5-isocyanophenyl)phenyl]-20-phenyl-5,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene?
The IUPAC name of 10-[3-(3-carbazol-9-yl-5-isocyanophenyl)phenyl]-20-phenyl-5,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene (CID 153437444) is 10-[3-(3-carbazol-9-yl-5-isocyanophenyl)phenyl]-20-phenyl-5,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene.
What is the SMILES notation for 10-[3-(3-carbazol-9-yl-5-isocyanophenyl)phenyl]-20-phenyl-5,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene?
The canonical SMILES for 10-[3-(3-carbazol-9-yl-5-isocyanophenyl)phenyl]-20-phenyl-5,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene is [C-]#[N+]c1cc(-c2cccc(-n3c4cc5c6ccccc6n(-c6ccccc6)c5cc4c4ncccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 10-[3-(3-carbazol-9-yl-5-isocyanophenyl)phenyl]-20-phenyl-5,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene?
The InChIKey is XCXMQPWCSJYBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N5/c1-49-33-25-32(27-36(28-33)53-42-20-8-5-17-37(42)38-18-6-9-21-43(38)53)31-13-11-16-35(26-31)52-45-23-12-24-50-48(45)41-30-46-40(29-47(41)52)39-19-7-10-22-44(39)51(46)34-14-3-2-4-15-34/h2-30H.
What are the key properties of 10-[3-(3-carbazol-9-yl-5-isocyanophenyl)phenyl]-20-phenyl-5,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene?
10-[3-(3-carbazol-9-yl-5-isocyanophenyl)phenyl]-20-phenyl-5,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene has a molecular weight of 675.80 g/mol, XLogP of 12.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(3-carbazol-9-yl-5-isocyanophenyl)phenyl]-20-phenyl-5,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene is sourced from PubChem (CID 153437444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).