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

C41H30N2 — CID 118362674

IUPAC10,10-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
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)C=Cc1cc(-c2ccc4c5ccccc5n(-c5ccccc5)c4c2)ccc1N3
InChIInChI=1S/C41H30N2/c1-41(2)35-14-8-6-12-31(35)34-25-38-29(23-36(34)41)17-16-28-22-26(19-21-37(28)42-38)27-18-20-33-32-13-7-9-15-39(32)43(40(33)24-27)30-10-4-3-5-11-30/h3-25,42H,1-2H3
InChIKeyZGDPSBMFHGZQMI-UHFFFAOYSA-N
MW550.71 g/mol
LogP10.98
Rot. Bonds2

About 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

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 (PubChem CID 118362674) has the molecular formula C41H30N2 and a molecular weight of 550.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10,10-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
PubChem CID118362674
Molecular FormulaC41H30N2
Molecular Weight550.71 g/mol
Exact Mass550.24
IUPAC Name10,10-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
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)C=Cc1cc(-c2ccc4c5ccccc5n(-c5ccccc5)c4c2)ccc1N3
InChIInChI=1S/C41H30N2/c1-41(2)35-14-8-6-12-31(35)34-25-38-29(23-36(34)41)17-16-28-22-26(19-21-37(28)42-38)27-18-20-33-32-13-7-9-15-39(32)43(40(33)24-27)30-10-4-3-5-11-30/h3-25,42H,1-2H3
InChIKeyZGDPSBMFHGZQMI-UHFFFAOYSA-N
XLogP10.98
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.71
LogP ≤ 510.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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
11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
CID 58059223
7,7-dimethyl-2,5-bis(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole
CID 89472025
7,7-dimethyl-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 89472164
11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 58059239
5-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146534738
15-[4-(11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492388
2-(4-bromophenyl)-7-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole
CID 142754174
2-[3-(9,9-dimethylfluoren-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 122492205
24,24-dimethyl-20-(4-phenylphenyl)-20-azaheptacyclo[19.11.0.02,7.08,13.014,19.023,31.025,30]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,21,23(31),25,27,29-pentadecaene
CID 142363377
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
2,5-bis[7,7-dimethyl-2-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazol-5-yl]benzene-1,4-dicarbonitrile
CID 121328601

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2cc3c(cc21)C=Cc1cc(-c2ccc4c5ccccc5n(-c5ccccc5)c4c2)ccc1N3.
What is the InChIKey of 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?
The InChIKey is ZGDPSBMFHGZQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30N2/c1-41(2)35-14-8-6-12-31(35)34-25-38-29(23-36(34)41)17-16-28-22-26(19-21-37(28)42-38)27-18-20-33-32-13-7-9-15-39(32)43(40(33)24-27)30-10-4-3-5-11-30/h3-25,42H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 550.71 g/mol, XLogP of 10.98, 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-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 is sourced from PubChem (CID 118362674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).