CID 163941170

C27H17AlN2 — CID 163941170

IUPAC—
SMILESCn1c2c3ccccc3ccc2c2ccc3c(c4c5ccccc5ccc4n3[Al])c21
InChIInChI=1S/C27H17N2.Al/c1-29-26-19-9-5-3-7-17(19)10-12-20(26)21-13-15-23-25(27(21)29)24-18-8-4-2-6-16(18)11-14-22(24)28-23;/h2-15H,1H3;/q-1;+1
InChIKeyPFFAWUMUWQLULX-UHFFFAOYSA-N
MW396.43 g/mol
LogP6.68
Rot. Bonds

About CID 163941170

CID 163941170 (PubChem CID 163941170) has the molecular formula C27H17AlN2 and a molecular weight of 396.43 g/mol.

Molecular Properties

Compound NameCID 163941170
PubChem CID163941170
Molecular FormulaC27H17AlN2
Molecular Weight396.43 g/mol
Exact Mass396.12
IUPAC Name—
SMILESCn1c2c3ccccc3ccc2c2ccc3c(c4c5ccccc5ccc4n3[Al])c21
InChIInChI=1S/C27H17N2.Al/c1-29-26-19-9-5-3-7-17(19)10-12-20(26)21-13-15-23-25(27(21)29)24-18-8-4-2-6-16(18)11-14-22(24)28-23;/h2-15H,1H3;/q-1;+1
InChIKeyPFFAWUMUWQLULX-UHFFFAOYSA-N
XLogP6.68
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.43
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 163636067
CID 163636067
25-methyl-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 130325653
ethene;12-methyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 145210762
12-methyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;12-methyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-methylbenzo[a]carbazole;5-methylbenzo[b]carbazole;9-methylcarbazole
CID 163692832
7-methyl-10-(11-methylbenzo[a]carbazol-3-yl)benzo[c]carbazole
CID 134240713
11-methyl-8-(4-phenylphenyl)benzo[a]carbazole;yttrium
CID 58410518
11-methyl-8-pyren-1-ylbenzo[a]carbazole
CID 58410605
28-methyl-12,28-diazaoctacyclo[17.10.1.02,11.03,8.012,30.013,18.021,29.022,27]triaconta-1(29),2(11),3,5,7,9,13,15,17,19(30),20,22,24,26-tetradecaene
CID 138752081
12-methyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene-7-carbonitrile
CID 118860561
24-methyl-9-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 126632596
3-methyl-14-oxa-3-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 166026678
12-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 59103404

Frequently Asked Questions

What is the IUPAC name of CID 163941170?
The IUPAC name of CID 163941170 (CID 163941170) is not available.
What is the SMILES notation for CID 163941170?
The canonical SMILES for CID 163941170 is Cn1c2c3ccccc3ccc2c2ccc3c(c4c5ccccc5ccc4n3[Al])c21.
What is the InChIKey of CID 163941170?
The InChIKey is PFFAWUMUWQLULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17N2.Al/c1-29-26-19-9-5-3-7-17(19)10-12-20(26)21-13-15-23-25(27(21)29)24-18-8-4-2-6-16(18)11-14-22(24)28-23;/h2-15H,1H3;/q-1;+1.
What are the key properties of CID 163941170?
CID 163941170 has a molecular weight of 396.43 g/mol, XLogP of 6.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163941170 is sourced from PubChem (CID 163941170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).