CID 88946984

C27H20BN — CID 88946984

IUPAC—
SMILES[B]c1ccc2c(c1)c1cc3c(cc1n2-c1ccccc1)C(C)(C)c1ccccc1-3
InChIInChI=1S/C27H20BN/c1-27(2)23-11-7-6-10-19(23)20-15-22-21-14-17(28)12-13-25(21)29(26(22)16-24(20)27)18-8-4-3-5-9-18/h3-16H,1-2H3
InChIKeyVABZZGZWQNNAIO-UHFFFAOYSA-N
MW369.28 g/mol
LogP5.88
Rot. Bonds1

About CID 88946984

CID 88946984 (PubChem CID 88946984) has the molecular formula C27H20BN and a molecular weight of 369.28 g/mol.

Molecular Properties

Compound NameCID 88946984
PubChem CID88946984
Molecular FormulaC27H20BN
Molecular Weight369.28 g/mol
Exact Mass369.17
IUPAC Name—
SMILES[B]c1ccc2c(c1)c1cc3c(cc1n2-c1ccccc1)C(C)(C)c1ccccc1-3
InChIInChI=1S/C27H20BN/c1-27(2)23-11-7-6-10-19(23)20-15-22-21-14-17(28)12-13-25(21)29(26(22)16-24(20)27)18-8-4-3-5-9-18/h3-16H,1-2H3
InChIKeyVABZZGZWQNNAIO-UHFFFAOYSA-N
XLogP5.88
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.28
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
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
7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 89472227
7,7-dimethyl-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 89472164
7,7-dimethyl-5-phenyl-2-(4-phenylnaphthalen-1-yl)indeno[2,1-b]carbazole
CID 170395420
14-(1,1,2,2,3,3-hexamethyl-9-phenylcyclopenta[b]carbazol-6-yl)-10,10,18,18,19,19,20,20-octamethyl-14-azahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1,3(11),4,6,8,12,15,17(21),22-nonaene
CID 126598377
7,7-dimethyl-5-phenyl-2-(10-phenylanthracen-9-yl)indeno[2,1-b]carbazole
CID 144609405
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
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-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12-phenylindolo[3,2-c]carbazole
CID 90057414

Frequently Asked Questions

What is the IUPAC name of CID 88946984?
The IUPAC name of CID 88946984 (CID 88946984) is not available.
What is the SMILES notation for CID 88946984?
The canonical SMILES for CID 88946984 is [B]c1ccc2c(c1)c1cc3c(cc1n2-c1ccccc1)C(C)(C)c1ccccc1-3.
What is the InChIKey of CID 88946984?
The InChIKey is VABZZGZWQNNAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20BN/c1-27(2)23-11-7-6-10-19(23)20-15-22-21-14-17(28)12-13-25(21)29(26(22)16-24(20)27)18-8-4-3-5-9-18/h3-16H,1-2H3.
What are the key properties of CID 88946984?
CID 88946984 has a molecular weight of 369.28 g/mol, XLogP of 5.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88946984 is sourced from PubChem (CID 88946984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).