2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-naphtho[2,1-b][1]benzofuran-10-yl-[1]benzothiolo[3,2-d]pyrimidine

C54H30N4OS — CID 155485483

IUPAC2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-naphtho[2,1-b][1]benzofuran-10-yl-[1]benzothiolo[3,2-d]pyrimidine
SMILESc1ccc2c(c1)ccc1oc3ccc(-c4nc(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6c7ccccc7ccc65)nc5c4sc4ccccc45)cc3c12
InChIInChI=1S/C54H30N4OS/c1-3-13-35-31(11-1)21-25-45-49(35)40-30-34(57-42-18-8-5-15-37(42)38-16-6-9-19-43(38)57)24-26-44(40)58(45)54-55-51(53-52(56-54)39-17-7-10-20-48(39)60-53)33-23-27-46-41(29-33)50-36-14-4-2-12-32(36)22-28-47(50)59-46/h1-30H
InChIKeyGZXOCEORXDPEBV-UHFFFAOYSA-N
MW782.93 g/mol
LogP14.91
Rot. Bonds3

About 2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-naphtho[2,1-b][1]benzofuran-10-yl-[1]benzothiolo[3,2-d]pyrimidine

2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-naphtho[2,1-b][1]benzofuran-10-yl-[1]benzothiolo[3,2-d]pyrimidine (PubChem CID 155485483) has the molecular formula C54H30N4OS and a molecular weight of 782.93 g/mol. Its IUPAC name is 2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-naphtho[2,1-b][1]benzofuran-10-yl-[1]benzothiolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-naphtho[2,1-b][1]benzofuran-10-yl-[1]benzothiolo[3,2-d]pyrimidine
PubChem CID155485483
Molecular FormulaC54H30N4OS
Molecular Weight782.93 g/mol
Exact Mass782.21
IUPAC Name2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-naphtho[2,1-b][1]benzofuran-10-yl-[1]benzothiolo[3,2-d]pyrimidine
SMILESc1ccc2c(c1)ccc1oc3ccc(-c4nc(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6c7ccccc7ccc65)nc5c4sc4ccccc45)cc3c12
InChIInChI=1S/C54H30N4OS/c1-3-13-35-31(11-1)21-25-45-49(35)40-30-34(57-42-18-8-5-15-37(42)38-16-6-9-19-43(38)57)24-26-44(40)58(45)54-55-51(53-52(56-54)39-17-7-10-20-48(39)60-53)33-23-27-46-41(29-33)50-36-14-4-2-12-32(36)22-28-47(50)59-46/h1-30H
InChIKeyGZXOCEORXDPEBV-UHFFFAOYSA-N
XLogP14.91
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.93
LogP ≤ 514.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-naphtho[2,1-b][1]benzofuran-10-yl-[1]benzothiolo[3,2-d]pyrimidine with MolForge

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Related Compounds

2-(13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-13-yl)-4-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 162473143
7-(4-naphtho[2,1-b][1]benzofuran-9-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-N,N-diphenylbenzo[c]carbazol-10-amine
CID 155485338
5-naphthalen-2-yl-9-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene
CID 155335297
2-benzo[c]carbazol-7-yl-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 166849685
9-(4-dibenzothiophen-2-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-22-oxa-9-azahexacyclo[15.4.1.05,21.08,20.010,19.013,18]docosa-1,3,5(21),6,8(20),10(19),11,13(18),14,16-decaene
CID 163955672
4-phenyl-2-[7-(10-phenylbenzo[c]carbazol-7-yl)dibenzofuran-3-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 153090525
2-benzo[a]carbazol-11-yl-4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 167289432
10-carbazol-9-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole
CID 162481431
2-(8-naphtho[2,1-b][1]benzofuran-9-ylbenzo[c]carbazol-7-yl)-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 142569946
2-(8-benzo[b]carbazol-5-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 157477610
18-phenyl-9-[4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15(20),16,18,21-undecaene
CID 155335507
18-phenyl-9-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15(20),16,18,21-undecaene
CID 155335601

Frequently Asked Questions

What is the IUPAC name of 2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-naphtho[2,1-b][1]benzofuran-10-yl-[1]benzothiolo[3,2-d]pyrimidine?
The IUPAC name of 2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-naphtho[2,1-b][1]benzofuran-10-yl-[1]benzothiolo[3,2-d]pyrimidine (CID 155485483) is 2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-naphtho[2,1-b][1]benzofuran-10-yl-[1]benzothiolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-naphtho[2,1-b][1]benzofuran-10-yl-[1]benzothiolo[3,2-d]pyrimidine?
The canonical SMILES for 2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-naphtho[2,1-b][1]benzofuran-10-yl-[1]benzothiolo[3,2-d]pyrimidine is c1ccc2c(c1)ccc1oc3ccc(-c4nc(-n5c6ccc(-n7c8ccccc8c8ccccc87)cc6c6c7ccccc7ccc65)nc5c4sc4ccccc45)cc3c12.
What is the InChIKey of 2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-naphtho[2,1-b][1]benzofuran-10-yl-[1]benzothiolo[3,2-d]pyrimidine?
The InChIKey is GZXOCEORXDPEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H30N4OS/c1-3-13-35-31(11-1)21-25-45-49(35)40-30-34(57-42-18-8-5-15-37(42)38-16-6-9-19-43(38)57)24-26-44(40)58(45)54-55-51(53-52(56-54)39-17-7-10-20-48(39)60-53)33-23-27-46-41(29-33)50-36-14-4-2-12-32(36)22-28-47(50)59-46/h1-30H.
What are the key properties of 2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-naphtho[2,1-b][1]benzofuran-10-yl-[1]benzothiolo[3,2-d]pyrimidine?
2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-naphtho[2,1-b][1]benzofuran-10-yl-[1]benzothiolo[3,2-d]pyrimidine has a molecular weight of 782.93 g/mol, XLogP of 14.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-naphtho[2,1-b][1]benzofuran-10-yl-[1]benzothiolo[3,2-d]pyrimidine is sourced from PubChem (CID 155485483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).