CID 134551695

C54H33N — CID 134551695

IUPAC—
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2C2(c3ccccc3-c3c2ccc2c3c3ccccc3n2-c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C54H33N/c1-2-18-35-34(16-1)17-15-31-48(35)55-49-30-14-6-22-39(49)52-50(55)33-32-47-51(52)38-21-5-9-25-42(38)54(47)45-28-12-10-26-43(45)53(44-27-11-13-29-46(44)54)40-23-7-3-19-36(40)37-20-4-8-24-41(37)53/h1-33H
InChIKeyFNFCJHMSCHDAFM-UHFFFAOYSA-N
MW695.87 g/mol
LogP12.98
Rot. Bonds1

About CID 134551695

CID 134551695 (PubChem CID 134551695) has the molecular formula C54H33N and a molecular weight of 695.87 g/mol.

Molecular Properties

Compound NameCID 134551695
PubChem CID134551695
Molecular FormulaC54H33N
Molecular Weight695.87 g/mol
Exact Mass695.26
IUPAC Name—
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2C2(c3ccccc3-c3c2ccc2c3c3ccccc3n2-c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C54H33N/c1-2-18-35-34(16-1)17-15-31-48(35)55-49-30-14-6-22-39(49)52-50(55)33-32-47-51(52)38-21-5-9-25-42(38)54(47)45-28-12-10-26-43(45)53(44-27-11-13-29-46(44)54)40-23-7-3-19-36(40)37-20-4-8-24-41(37)53/h1-33H
InChIKeyFNFCJHMSCHDAFM-UHFFFAOYSA-N
XLogP12.98
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.87
LogP ≤ 512.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 134551696
CID 134551696
9-naphthalen-1-yl-3-[4-[7'-[7'-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236395
14,14-dimethyl-9-naphthalen-1-yl-6-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 154948027
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-9',9'-dimethylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,10'-anthracene]
CID 163786674
7-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-ylbenzo[c]carbazole
CID 134528115
10'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine]
CID 118104005
3-phenyl-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
CID 126538623
2,7-dinaphthalen-1-ylbenzo[c]carbazole
CID 130351339
21,21-dimethyl-13-naphthalen-1-yl-13-azaheptacyclo[14.11.1.02,14.03,12.04,9.020,28.022,27]octacosa-1(28),2(14),3(12),4,6,8,10,15,17,19,22,24,26-tridecaene
CID 134510145
14,14-dimethyl-9-naphthalen-1-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;7,7-dimethyl-5-naphthalen-1-ylindeno[2,1-b]carbazole;14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;7,7-dimethyl-12-phenylindeno[1,2-a]carbazole;7,7-dimethyl-5-phenylindeno[2,1-b]carbazole;12,12-dimethyl-5-phenylindeno[1,2-c]carbazole
CID 161042554
10'-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine]
CID 118103988
10'-pyridin-2-yl-9-(1H-pyrrol-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-acridine]
CID 129310900

Frequently Asked Questions

What is the IUPAC name of CID 134551695?
The IUPAC name of CID 134551695 (CID 134551695) is not available.
What is the SMILES notation for CID 134551695?
The canonical SMILES for CID 134551695 is c1ccc2c(c1)-c1ccccc1C21c2ccccc2C2(c3ccccc3-c3c2ccc2c3c3ccccc3n2-c2cccc3ccccc23)c2ccccc21.
What is the InChIKey of CID 134551695?
The InChIKey is FNFCJHMSCHDAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N/c1-2-18-35-34(16-1)17-15-31-48(35)55-49-30-14-6-22-39(49)52-50(55)33-32-47-51(52)38-21-5-9-25-42(38)54(47)45-28-12-10-26-43(45)53(44-27-11-13-29-46(44)54)40-23-7-3-19-36(40)37-20-4-8-24-41(37)53/h1-33H.
What are the key properties of CID 134551695?
CID 134551695 has a molecular weight of 695.87 g/mol, XLogP of 12.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134551695 is sourced from PubChem (CID 134551695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).