23-carbazol-9-yl-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene

C42H26N2 — CID 121446892

IUPAC23-carbazol-9-yl-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
SMILESc1ccc(-c2ccc3c(c2)-c2ccccc2-c2cc(-n4c5ccccc5c5ccccc54)cc4c5ccccc5n-3c24)cc1
InChIInChI=1S/C42H26N2/c1-2-12-27(13-3-1)28-22-23-41-35(24-28)30-14-4-5-15-31(30)36-25-29(26-37-34-18-8-11-21-40(34)44(41)42(36)37)43-38-19-9-6-16-32(38)33-17-7-10-20-39(33)43/h1-26H
InChIKeyRTOPSBRILMNSIK-UHFFFAOYSA-N
MW558.68 g/mol
LogP11.20
Rot. Bonds2

About 23-carbazol-9-yl-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene

23-carbazol-9-yl-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene (PubChem CID 121446892) has the molecular formula C42H26N2 and a molecular weight of 558.68 g/mol. Its IUPAC name is 23-carbazol-9-yl-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene.

Molecular Properties

Compound Name23-carbazol-9-yl-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
PubChem CID121446892
Molecular FormulaC42H26N2
Molecular Weight558.68 g/mol
Exact Mass558.21
IUPAC Name23-carbazol-9-yl-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
SMILESc1ccc(-c2ccc3c(c2)-c2ccccc2-c2cc(-n4c5ccccc5c5ccccc54)cc4c5ccccc5n-3c24)cc1
InChIInChI=1S/C42H26N2/c1-2-12-27(13-3-1)28-22-23-41-35(24-28)30-14-4-5-15-31(30)36-25-29(26-37-34-18-8-11-21-40(34)44(41)42(36)37)43-38-19-9-6-16-32(38)33-17-7-10-20-39(33)43/h1-26H
InChIKeyRTOPSBRILMNSIK-UHFFFAOYSA-N
XLogP11.20
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.68
LogP ≤ 511.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 23-carbazol-9-yl-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene with MolForge

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Related Compounds

10-carbazol-9-yl-23-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
CID 121446911
23-phenyl-10,18-bis(3-phenylphenyl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15(20),16,18,21(25),22-dodecaene
CID 121446881
10,23-di(triphenylen-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
CID 121446866
3-carbazol-9-yl-9-phenyl-1-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 138705475
10-phenyl-23-[4-[9-[3-(4-phenylphenyl)phenyl]phenanthren-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
CID 145085570
23-(9-phenylcarbazol-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene
CID 145085317
27-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19,21,23,25(29),26-tetradecaene
CID 121355785
18-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaene
CID 121386081
3-carbazol-9-yl-9-[3-(2,5-diphenylphenyl)-4-phenylphenyl]carbazole
CID 146872026
9-[3,5-bis(3-phenylcarbazol-9-yl)phenyl]-3-phenylcarbazole
CID 59399106
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-carbazol-9-ylcarbazole
CID 137421301
10-phenyl-18-[4-[9-(3-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15(20),16,18,21(25),22-dodecaene
CID 145085485

Frequently Asked Questions

What is the IUPAC name of 23-carbazol-9-yl-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene?
The IUPAC name of 23-carbazol-9-yl-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene (CID 121446892) is 23-carbazol-9-yl-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene.
What is the SMILES notation for 23-carbazol-9-yl-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene?
The canonical SMILES for 23-carbazol-9-yl-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene is c1ccc(-c2ccc3c(c2)-c2ccccc2-c2cc(-n4c5ccccc5c5ccccc54)cc4c5ccccc5n-3c24)cc1.
What is the InChIKey of 23-carbazol-9-yl-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene?
The InChIKey is RTOPSBRILMNSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2/c1-2-12-27(13-3-1)28-22-23-41-35(24-28)30-14-4-5-15-31(30)36-25-29(26-37-34-18-8-11-21-40(34)44(41)42(36)37)43-38-19-9-6-16-32(38)33-17-7-10-20-39(33)43/h1-26H.
What are the key properties of 23-carbazol-9-yl-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene?
23-carbazol-9-yl-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene has a molecular weight of 558.68 g/mol, XLogP of 11.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 23-carbazol-9-yl-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene is sourced from PubChem (CID 121446892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).