9-(4-carbazol-9-ylphenyl)-18-methyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,20,22,24-undecaene

C43H30N2 — CID 166702562

IUPAC9-(4-carbazol-9-ylphenyl)-18-methyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,20,22,24-undecaene
SMILESCC1Cc2ccccc2-c2c1c1ccccc1c1c2c2ccccc2n1-c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C43H30N2/c1-27-26-28-12-2-3-13-31(28)41-40(27)34-16-4-5-17-35(34)43-42(41)36-18-8-11-21-39(36)45(43)30-24-22-29(23-25-30)44-37-19-9-6-14-32(37)33-15-7-10-20-38(33)44/h2-25,27H,26H2,1H3
InChIKeyAMPWBNAVAFROGB-UHFFFAOYSA-N
MW574.73 g/mol
LogP11.36
Rot. Bonds2

About 9-(4-carbazol-9-ylphenyl)-18-methyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,20,22,24-undecaene

9-(4-carbazol-9-ylphenyl)-18-methyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,20,22,24-undecaene (PubChem CID 166702562) has the molecular formula C43H30N2 and a molecular weight of 574.73 g/mol. Its IUPAC name is 9-(4-carbazol-9-ylphenyl)-18-methyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,20,22,24-undecaene.

Molecular Properties

Compound Name9-(4-carbazol-9-ylphenyl)-18-methyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,20,22,24-undecaene
PubChem CID166702562
Molecular FormulaC43H30N2
Molecular Weight574.73 g/mol
Exact Mass574.24
IUPAC Name9-(4-carbazol-9-ylphenyl)-18-methyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,20,22,24-undecaene
SMILESCC1Cc2ccccc2-c2c1c1ccccc1c1c2c2ccccc2n1-c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C43H30N2/c1-27-26-28-12-2-3-13-31(28)41-40(27)34-16-4-5-17-35(34)43-42(41)36-18-8-11-21-39(36)45(43)30-24-22-29(23-25-30)44-37-19-9-6-14-32(37)33-15-7-10-20-38(33)44/h2-25,27H,26H2,1H3
InChIKeyAMPWBNAVAFROGB-UHFFFAOYSA-N
XLogP11.36
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.73
LogP ≤ 511.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-(4-carbazol-9-ylphenyl)-18-methyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,20,22,24-undecaene with MolForge

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Related Compounds

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5-(9H-fluoren-3-yl)-12-phenylindolo[3,2-c]carbazole
CID 121289125
11,12-bis(4-carbazol-9-ylphenyl)indolo[2,3-a]carbazole
CID 70938031
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
9,19-diphenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,20,22,24,27,29,31-tetradecaene
CID 135162840
9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122434437
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 131999007
9-(9-phenylcarbazol-3-yl)-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
CID 118503172
9-methyl-18-[4-(4-phenylphenyl)phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 126501137
9-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 118361343

Frequently Asked Questions

What is the IUPAC name of 9-(4-carbazol-9-ylphenyl)-18-methyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,20,22,24-undecaene?
The IUPAC name of 9-(4-carbazol-9-ylphenyl)-18-methyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,20,22,24-undecaene (CID 166702562) is 9-(4-carbazol-9-ylphenyl)-18-methyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,20,22,24-undecaene.
What is the SMILES notation for 9-(4-carbazol-9-ylphenyl)-18-methyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,20,22,24-undecaene?
The canonical SMILES for 9-(4-carbazol-9-ylphenyl)-18-methyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,20,22,24-undecaene is CC1Cc2ccccc2-c2c1c1ccccc1c1c2c2ccccc2n1-c1ccc(-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 9-(4-carbazol-9-ylphenyl)-18-methyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,20,22,24-undecaene?
The InChIKey is AMPWBNAVAFROGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2/c1-27-26-28-12-2-3-13-31(28)41-40(27)34-16-4-5-17-35(34)43-42(41)36-18-8-11-21-39(36)45(43)30-24-22-29(23-25-30)44-37-19-9-6-14-32(37)33-15-7-10-20-38(33)44/h2-25,27H,26H2,1H3.
What are the key properties of 9-(4-carbazol-9-ylphenyl)-18-methyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,20,22,24-undecaene?
9-(4-carbazol-9-ylphenyl)-18-methyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,20,22,24-undecaene has a molecular weight of 574.73 g/mol, XLogP of 11.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-carbazol-9-ylphenyl)-18-methyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,20,22,24-undecaene is sourced from PubChem (CID 166702562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).