7,7-dimethyl-5-(15-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)indeno[2,1-b]carbazole

C45H29NO — CID 169060501

IUPAC7,7-dimethyl-5-(15-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)indeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5c6ccccc6c6ccc(-c7ccccc7)c7oc4c5c76)c3cc21
InChIInChI=1S/C45H29NO/c1-45(2)36-18-10-8-16-30(36)34-24-35-31-17-9-11-19-38(31)46(40(35)25-37(34)45)39-23-22-33-29-15-7-6-14-28(29)32-21-20-27(26-12-4-3-5-13-26)43-41(32)42(33)44(39)47-43/h3-25H,1-2H3
InChIKeyNQHLWDDVTAPVEF-UHFFFAOYSA-N
MW599.73 g/mol
LogP12.40
Rot. Bonds2

About 7,7-dimethyl-5-(15-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)indeno[2,1-b]carbazole

7,7-dimethyl-5-(15-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)indeno[2,1-b]carbazole (PubChem CID 169060501) has the molecular formula C45H29NO and a molecular weight of 599.73 g/mol. Its IUPAC name is 7,7-dimethyl-5-(15-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)indeno[2,1-b]carbazole.

Molecular Properties

Compound Name7,7-dimethyl-5-(15-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)indeno[2,1-b]carbazole
PubChem CID169060501
Molecular FormulaC45H29NO
Molecular Weight599.73 g/mol
Exact Mass599.22
IUPAC Name7,7-dimethyl-5-(15-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)indeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5c6ccccc6c6ccc(-c7ccccc7)c7oc4c5c76)c3cc21
InChIInChI=1S/C45H29NO/c1-45(2)36-18-10-8-16-30(36)34-24-35-31-17-9-11-19-38(31)46(40(35)25-37(34)45)39-23-22-33-29-15-7-6-14-28(29)32-21-20-27(26-12-4-3-5-13-26)43-41(32)42(33)44(39)47-43/h3-25H,1-2H3
InChIKeyNQHLWDDVTAPVEF-UHFFFAOYSA-N
XLogP12.40
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.73
LogP ≤ 512.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7,7-dimethyl-5-(15-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)indeno[2,1-b]carbazole with MolForge

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Related Compounds

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CID 170277611
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
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(1-phenyldibenzofuran-4-yl)carbazole
CID 146490425
5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146336057
6-carbazol-9-yl-N-(9,9-dimethylfluoren-3-yl)-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 90125929
5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66797662
7,7-dimethyl-5-[9-(2-phenylquinolin-4-yl)dibenzofuran-4-yl]indeno[2,1-b]carbazole
CID 146334221
5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-naphthalen-1-ylphenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 126592268
5-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 165154807
7,7-dimethyl-5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole
CID 146519894
5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 126592339

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-(15-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)indeno[2,1-b]carbazole?
The IUPAC name of 7,7-dimethyl-5-(15-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)indeno[2,1-b]carbazole (CID 169060501) is 7,7-dimethyl-5-(15-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)indeno[2,1-b]carbazole.
What is the SMILES notation for 7,7-dimethyl-5-(15-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)indeno[2,1-b]carbazole?
The canonical SMILES for 7,7-dimethyl-5-(15-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)indeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5c6ccccc6c6ccc(-c7ccccc7)c7oc4c5c76)c3cc21.
What is the InChIKey of 7,7-dimethyl-5-(15-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)indeno[2,1-b]carbazole?
The InChIKey is NQHLWDDVTAPVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29NO/c1-45(2)36-18-10-8-16-30(36)34-24-35-31-17-9-11-19-38(31)46(40(35)25-37(34)45)39-23-22-33-29-15-7-6-14-28(29)32-21-20-27(26-12-4-3-5-13-26)43-41(32)42(33)44(39)47-43/h3-25H,1-2H3.
What are the key properties of 7,7-dimethyl-5-(15-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)indeno[2,1-b]carbazole?
7,7-dimethyl-5-(15-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)indeno[2,1-b]carbazole has a molecular weight of 599.73 g/mol, XLogP of 12.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-(15-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)indeno[2,1-b]carbazole is sourced from PubChem (CID 169060501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).