9-[4-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)phenyl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene

C55H36N2 — CID 163861870

IUPAC9-[4-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)phenyl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1cc(-c2ccc(-n4c5ccccc5c5c6cccc7c6c(cc54)-c4ccccc4-7)cc2)ccc1n3-c1ccccc1
InChIInChI=1S/C55H36N2/c1-55(2)47-21-10-8-17-39(47)43-31-51-45(30-48(43)55)44-29-34(25-28-50(44)56(51)35-13-4-3-5-14-35)33-23-26-36(27-24-33)57-49-22-11-9-18-41(49)54-42-20-12-19-40-37-15-6-7-16-38(37)46(53(40)42)32-52(54)57/h3-32H,1-2H3
InChIKeyPDGDKSWZJWBMEG-UHFFFAOYSA-N
MW724.91 g/mol
LogP14.65
Rot. Bonds3

About 9-[4-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)phenyl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene

9-[4-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)phenyl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene (PubChem CID 163861870) has the molecular formula C55H36N2 and a molecular weight of 724.91 g/mol. Its IUPAC name is 9-[4-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)phenyl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene.

Molecular Properties

Compound Name9-[4-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)phenyl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene
PubChem CID163861870
Molecular FormulaC55H36N2
Molecular Weight724.91 g/mol
Exact Mass724.29
IUPAC Name9-[4-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)phenyl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1cc(-c2ccc(-n4c5ccccc5c5c6cccc7c6c(cc54)-c4ccccc4-7)cc2)ccc1n3-c1ccccc1
InChIInChI=1S/C55H36N2/c1-55(2)47-21-10-8-17-39(47)43-31-51-45(30-48(43)55)44-29-34(25-28-50(44)56(51)35-13-4-3-5-14-35)33-23-26-36(27-24-33)57-49-22-11-9-18-41(49)54-42-20-12-19-40-37-15-6-7-16-38(37)46(53(40)42)32-52(54)57/h3-32H,1-2H3
InChIKeyPDGDKSWZJWBMEG-UHFFFAOYSA-N
XLogP14.65
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.91
LogP ≤ 514.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-[4-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)phenyl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene with MolForge

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Related Compounds

9-[4-(14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)phenyl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene
CID 163983384
11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 58059239
9-phenyl-5-(9-phenylcarbazol-3-yl)-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene
CID 134301140
2-carbazol-9-yl-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole;7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole
CID 159588417
7,7-dimethyl-2,5-bis(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole
CID 89472025
7,7-dimethyl-2-(9-naphthalen-1-ylcarbazol-3-yl)-5-(4-phenylphenyl)indeno[2,1-b]carbazole;11,11-dimethyl-2-(9-naphthalen-1-ylcarbazol-3-yl)-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 160620508
7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 89472227
11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
CID 58059223
5-(3-carbazol-9-ylphenyl)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 121287104
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163801693
4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 66585298
9-phenyl-5-[9-(3-phenylphenyl)carbazol-3-yl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene
CID 134300978

Frequently Asked Questions

What is the IUPAC name of 9-[4-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)phenyl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene?
The IUPAC name of 9-[4-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)phenyl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene (CID 163861870) is 9-[4-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)phenyl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene.
What is the SMILES notation for 9-[4-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)phenyl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene?
The canonical SMILES for 9-[4-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)phenyl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene is CC1(C)c2ccccc2-c2cc3c(cc21)c1cc(-c2ccc(-n4c5ccccc5c5c6cccc7c6c(cc54)-c4ccccc4-7)cc2)ccc1n3-c1ccccc1.
What is the InChIKey of 9-[4-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)phenyl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene?
The InChIKey is PDGDKSWZJWBMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N2/c1-55(2)47-21-10-8-17-39(47)43-31-51-45(30-48(43)55)44-29-34(25-28-50(44)56(51)35-13-4-3-5-14-35)33-23-26-36(27-24-33)57-49-22-11-9-18-41(49)54-42-20-12-19-40-37-15-6-7-16-38(37)46(53(40)42)32-52(54)57/h3-32H,1-2H3.
What are the key properties of 9-[4-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)phenyl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene?
9-[4-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)phenyl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene has a molecular weight of 724.91 g/mol, XLogP of 14.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-2-yl)phenyl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene is sourced from PubChem (CID 163861870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).