10,10-dimethyl-18-(9-phenylcarbazol-3-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene;molecular hydrogen

C41H32N2 — CID 144914740

IUPAC10,10-dimethyl-18-(9-phenylcarbazol-3-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene;molecular hydrogen
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)C=Cc1cc(-c2ccc4c(c2)c2ccccc2n4-c2ccccc2)ccc1N3.[H][H]
InChIInChI=1S/C41H30N2.H2/c1-41(2)35-14-8-6-12-31(35)33-25-38-29(24-36(33)41)17-16-28-22-26(18-20-37(28)42-38)27-19-21-40-34(23-27)32-13-7-9-15-39(32)43(40)30-10-4-3-5-11-30;/h3-25,42H,1-2H3;1H
InChIKeyZZQMDEUWJGSFOR-UHFFFAOYSA-N
MW552.72 g/mol
LogP11.23
Rot. Bonds2

About 10,10-dimethyl-18-(9-phenylcarbazol-3-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene;molecular hydrogen

10,10-dimethyl-18-(9-phenylcarbazol-3-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene;molecular hydrogen (PubChem CID 144914740) has the molecular formula C41H32N2 and a molecular weight of 552.72 g/mol. Its IUPAC name is 10,10-dimethyl-18-(9-phenylcarbazol-3-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene;molecular hydrogen.

Molecular Properties

Compound Name10,10-dimethyl-18-(9-phenylcarbazol-3-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene;molecular hydrogen
PubChem CID144914740
Molecular FormulaC41H32N2
Molecular Weight552.72 g/mol
Exact Mass552.26
IUPAC Name10,10-dimethyl-18-(9-phenylcarbazol-3-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene;molecular hydrogen
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)C=Cc1cc(-c2ccc4c(c2)c2ccccc2n4-c2ccccc2)ccc1N3.[H][H]
InChIInChI=1S/C41H30N2.H2/c1-41(2)35-14-8-6-12-31(35)33-25-38-29(24-36(33)41)17-16-28-22-26(18-20-37(28)42-38)27-19-21-40-34(23-27)32-13-7-9-15-39(32)43(40)30-10-4-3-5-11-30;/h3-25,42H,1-2H3;1H
InChIKeyZZQMDEUWJGSFOR-UHFFFAOYSA-N
XLogP11.23
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.72
LogP ≤ 511.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 10,10-dimethyl-18-(9-phenylcarbazol-3-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene;molecular hydrogen with MolForge

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Related Compounds

10,10-dimethyl-18-(9-phenylcarbazol-2-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene
CID 118362674
7,7-dimethyl-2,5-bis(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole
CID 89472025
5-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146534738
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
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
11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
CID 58059223
5-ethyl-7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole
CID 118013993
3-[4-[9,9-dimethyl-7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-phenylcarbazole
CID 59236172
carbanide;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;molecular hydrogen;vanadium
CID 158521255
3-[3-(9,9-dimethylfluoren-2-yl)-5-triphenylen-2-ylphenyl]-6,9-diphenylcarbazole;9-phenyl-3-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole;9-phenyl-3-[3-(4-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole
CID 161477367
4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 66585298

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-18-(9-phenylcarbazol-3-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene;molecular hydrogen?
The IUPAC name of 10,10-dimethyl-18-(9-phenylcarbazol-3-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene;molecular hydrogen (CID 144914740) is 10,10-dimethyl-18-(9-phenylcarbazol-3-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene;molecular hydrogen.
What is the SMILES notation for 10,10-dimethyl-18-(9-phenylcarbazol-3-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene;molecular hydrogen?
The canonical SMILES for 10,10-dimethyl-18-(9-phenylcarbazol-3-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene;molecular hydrogen is CC1(C)c2ccccc2-c2cc3c(cc21)C=Cc1cc(-c2ccc4c(c2)c2ccccc2n4-c2ccccc2)ccc1N3.[H][H].
What is the InChIKey of 10,10-dimethyl-18-(9-phenylcarbazol-3-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene;molecular hydrogen?
The InChIKey is ZZQMDEUWJGSFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30N2.H2/c1-41(2)35-14-8-6-12-31(35)33-25-38-29(24-36(33)41)17-16-28-22-26(18-20-37(28)42-38)27-19-21-40-34(23-27)32-13-7-9-15-39(32)43(40)30-10-4-3-5-11-30;/h3-25,42H,1-2H3;1H.
What are the key properties of 10,10-dimethyl-18-(9-phenylcarbazol-3-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene;molecular hydrogen?
10,10-dimethyl-18-(9-phenylcarbazol-3-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene;molecular hydrogen has a molecular weight of 552.72 g/mol, XLogP of 11.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-18-(9-phenylcarbazol-3-yl)-22-azapentacyclo[11.9.0.03,11.04,9.016,21]docosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene;molecular hydrogen is sourced from PubChem (CID 144914740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).