9-naphthalen-1-yl-7-[5-(9-naphthalen-1-ylbenzo[c]carbazol-7-yl)benzo[c]phenanthren-8-yl]benzo[c]carbazole

C70H42N2 — CID 59156237

IUPAC9-naphthalen-1-yl-7-[5-(9-naphthalen-1-ylbenzo[c]carbazol-7-yl)benzo[c]phenanthren-8-yl]benzo[c]carbazole
SMILESc1ccc2c(-c3ccc4c5c6ccccc6ccc5n(-c5cc6cc(-n7c8cc(-c9cccc%10ccccc9%10)ccc8c8c9ccccc9ccc87)c7ccccc7c6c6ccccc56)c4c3)cccc2c1
InChIInChI=1S/C70H42N2/c1-5-21-50-43(15-1)19-13-29-52(50)47-31-35-60-66(39-47)71(62-37-33-45-17-3-7-23-54(45)69(60)62)64-41-49-42-65(57-26-10-12-28-59(57)68(49)58-27-11-9-25-56(58)64)72-63-38-34-46-18-4-8-24-55(46)70(63)61-36-32-48(40-67(61)72)53-30-14-20-44-16-2-6-22-51(44)53/h1-42H
InChIKeyVHLXGOCVLORLMP-UHFFFAOYSA-N
MW911.12 g/mol
LogP19.29
Rot. Bonds4

About 9-naphthalen-1-yl-7-[5-(9-naphthalen-1-ylbenzo[c]carbazol-7-yl)benzo[c]phenanthren-8-yl]benzo[c]carbazole

9-naphthalen-1-yl-7-[5-(9-naphthalen-1-ylbenzo[c]carbazol-7-yl)benzo[c]phenanthren-8-yl]benzo[c]carbazole (PubChem CID 59156237) has the molecular formula C70H42N2 and a molecular weight of 911.12 g/mol. Its IUPAC name is 9-naphthalen-1-yl-7-[5-(9-naphthalen-1-ylbenzo[c]carbazol-7-yl)benzo[c]phenanthren-8-yl]benzo[c]carbazole.

Molecular Properties

Compound Name9-naphthalen-1-yl-7-[5-(9-naphthalen-1-ylbenzo[c]carbazol-7-yl)benzo[c]phenanthren-8-yl]benzo[c]carbazole
PubChem CID59156237
Molecular FormulaC70H42N2
Molecular Weight911.12 g/mol
Exact Mass910.33
IUPAC Name9-naphthalen-1-yl-7-[5-(9-naphthalen-1-ylbenzo[c]carbazol-7-yl)benzo[c]phenanthren-8-yl]benzo[c]carbazole
SMILESc1ccc2c(-c3ccc4c5c6ccccc6ccc5n(-c5cc6cc(-n7c8cc(-c9cccc%10ccccc9%10)ccc8c8c9ccccc9ccc87)c7ccccc7c6c6ccccc56)c4c3)cccc2c1
InChIInChI=1S/C70H42N2/c1-5-21-50-43(15-1)19-13-29-52(50)47-31-35-60-66(39-47)71(62-37-33-45-17-3-7-23-54(45)69(60)62)64-41-49-42-65(57-26-10-12-28-59(57)68(49)58-27-11-9-25-56(58)64)72-63-38-34-46-18-4-8-24-55(46)70(63)61-36-32-48(40-67(61)72)53-30-14-20-44-16-2-6-22-51(44)53/h1-42H
InChIKeyVHLXGOCVLORLMP-UHFFFAOYSA-N
XLogP19.29
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500911.12
LogP ≤ 519.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,7-dinaphthalen-1-ylbenzo[c]carbazole
CID 130351339
7-(4-methylphenyl)-9-naphthalen-1-ylbenzo[c]carbazole
CID 139298795
9,21-dimethyl-6,18-dinaphthalen-1-yl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene
CID 59182288
12-[4-(3-naphthalen-1-yl-10-phenylanthracen-9-yl)naphthalen-1-yl]-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 130377463
7-naphthalen-1-yl-5,9-dinaphthalen-2-ylbenzo[c]carbazole
CID 163423913
3-(6-naphthalen-1-ylnaphthalen-2-yl)-7-phenylbenzo[c]carbazole
CID 130351343
2-(6-naphthalen-1-ylnaphthalen-2-yl)-7-phenylbenzo[c]carbazole
CID 130351342
7-phenyl-4,9-di(pyren-2-yl)benzo[c]carbazole
CID 139341378
9-[3-(2-methylphenyl)phenyl]-7-phenylbenzo[c]carbazole
CID 90175676
N-[4-[4-(9-naphthalen-1-ylbenzo[c]carbazol-7-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59728542
3-(3-naphthalen-1-ylphenyl)-9-phenanthren-9-ylcarbazole
CID 88569900
12-phenyl-7-(9-phenylcarbazol-3-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
CID 121246518

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-1-yl-7-[5-(9-naphthalen-1-ylbenzo[c]carbazol-7-yl)benzo[c]phenanthren-8-yl]benzo[c]carbazole?
The IUPAC name of 9-naphthalen-1-yl-7-[5-(9-naphthalen-1-ylbenzo[c]carbazol-7-yl)benzo[c]phenanthren-8-yl]benzo[c]carbazole (CID 59156237) is 9-naphthalen-1-yl-7-[5-(9-naphthalen-1-ylbenzo[c]carbazol-7-yl)benzo[c]phenanthren-8-yl]benzo[c]carbazole.
What is the SMILES notation for 9-naphthalen-1-yl-7-[5-(9-naphthalen-1-ylbenzo[c]carbazol-7-yl)benzo[c]phenanthren-8-yl]benzo[c]carbazole?
The canonical SMILES for 9-naphthalen-1-yl-7-[5-(9-naphthalen-1-ylbenzo[c]carbazol-7-yl)benzo[c]phenanthren-8-yl]benzo[c]carbazole is c1ccc2c(-c3ccc4c5c6ccccc6ccc5n(-c5cc6cc(-n7c8cc(-c9cccc%10ccccc9%10)ccc8c8c9ccccc9ccc87)c7ccccc7c6c6ccccc56)c4c3)cccc2c1.
What is the InChIKey of 9-naphthalen-1-yl-7-[5-(9-naphthalen-1-ylbenzo[c]carbazol-7-yl)benzo[c]phenanthren-8-yl]benzo[c]carbazole?
The InChIKey is VHLXGOCVLORLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H42N2/c1-5-21-50-43(15-1)19-13-29-52(50)47-31-35-60-66(39-47)71(62-37-33-45-17-3-7-23-54(45)69(60)62)64-41-49-42-65(57-26-10-12-28-59(57)68(49)58-27-11-9-25-56(58)64)72-63-38-34-46-18-4-8-24-55(46)70(63)61-36-32-48(40-67(61)72)53-30-14-20-44-16-2-6-22-51(44)53/h1-42H.
What are the key properties of 9-naphthalen-1-yl-7-[5-(9-naphthalen-1-ylbenzo[c]carbazol-7-yl)benzo[c]phenanthren-8-yl]benzo[c]carbazole?
9-naphthalen-1-yl-7-[5-(9-naphthalen-1-ylbenzo[c]carbazol-7-yl)benzo[c]phenanthren-8-yl]benzo[c]carbazole has a molecular weight of 911.12 g/mol, XLogP of 19.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-1-yl-7-[5-(9-naphthalen-1-ylbenzo[c]carbazol-7-yl)benzo[c]phenanthren-8-yl]benzo[c]carbazole is sourced from PubChem (CID 59156237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).