8-phenyl-5-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-c]carbazole

C52H33N — CID 164740424

IUPAC8-phenyl-5-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-c]carbazole
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5c6cc7ccccc7c(-c7ccccc7)c6ccc54)cc3)c3ccccc23)cc1
InChIInChI=1S/C52H33N/c1-3-15-34(16-4-1)49-39-20-8-7-19-37(39)33-46-44(49)31-32-48-52(46)45-25-13-14-26-47(45)53(48)38-29-27-36(28-30-38)51-42-23-11-9-21-40(42)50(35-17-5-2-6-18-35)41-22-10-12-24-43(41)51/h1-33H
InChIKeySTIMQNWCSKXJIB-UHFFFAOYSA-N
MW671.84 g/mol
LogP14.40
Rot. Bonds4

About 8-phenyl-5-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-c]carbazole

8-phenyl-5-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-c]carbazole (PubChem CID 164740424) has the molecular formula C52H33N and a molecular weight of 671.84 g/mol. Its IUPAC name is 8-phenyl-5-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-c]carbazole.

Molecular Properties

Compound Name8-phenyl-5-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-c]carbazole
PubChem CID164740424
Molecular FormulaC52H33N
Molecular Weight671.84 g/mol
Exact Mass671.26
IUPAC Name8-phenyl-5-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-c]carbazole
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5c6cc7ccccc7c(-c7ccccc7)c6ccc54)cc3)c3ccccc23)cc1
InChIInChI=1S/C52H33N/c1-3-15-34(16-4-1)49-39-20-8-7-19-37(39)33-46-44(49)31-32-48-52(46)45-25-13-14-26-47(45)53(48)38-29-27-36(28-30-38)51-42-23-11-9-21-40(42)50(35-17-5-2-6-18-35)41-22-10-12-24-43(41)51/h1-33H
InChIKeySTIMQNWCSKXJIB-UHFFFAOYSA-N
XLogP14.40
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.84
LogP ≤ 514.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

5-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-c]carbazole
CID 164740453
7-[4-(10-phenylanthracen-9-yl)phenyl]-9-(9-phenylcarbazol-2-yl)benzo[c]carbazole;7-[4-(10-phenylanthracen-9-yl)phenyl]-9-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 158285865
9-(4-benzo[b]triphenylen-9-ylphenyl)carbazole
CID 126617968
12-[4-(10-phenylanthracen-9-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 86675838
5-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 153314337
2-phenanthren-9-yl-7-(4-phenylphenyl)benzo[c]carbazole
CID 130351286
12-[4-[10-phenyl-3-(4-phenylphenyl)anthracen-9-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 130377435
3-(4-benzo[a]anthracen-7-ylphenyl)-9-phenylcarbazole
CID 121309011
9-phenyl-4-[8-(9-phenylcarbazol-4-yl)-10-(5-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole
CID 155333113
9-[4-[10-(4-carbazol-9-ylphenyl)-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 58963473
7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 130351055
12-[4-(10-anthracen-2-yl-3-anthracen-9-ylanthracen-9-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 130377452

Frequently Asked Questions

What is the IUPAC name of 8-phenyl-5-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-c]carbazole?
The IUPAC name of 8-phenyl-5-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-c]carbazole (CID 164740424) is 8-phenyl-5-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-c]carbazole.
What is the SMILES notation for 8-phenyl-5-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-c]carbazole?
The canonical SMILES for 8-phenyl-5-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-c]carbazole is c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5c6cc7ccccc7c(-c7ccccc7)c6ccc54)cc3)c3ccccc23)cc1.
What is the InChIKey of 8-phenyl-5-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-c]carbazole?
The InChIKey is STIMQNWCSKXJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N/c1-3-15-34(16-4-1)49-39-20-8-7-19-37(39)33-46-44(49)31-32-48-52(46)45-25-13-14-26-47(45)53(48)38-29-27-36(28-30-38)51-42-23-11-9-21-40(42)50(35-17-5-2-6-18-35)41-22-10-12-24-43(41)51/h1-33H.
What are the key properties of 8-phenyl-5-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-c]carbazole?
8-phenyl-5-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-c]carbazole has a molecular weight of 671.84 g/mol, XLogP of 14.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-5-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-c]carbazole is sourced from PubChem (CID 164740424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).