9-naphthalen-2-yl-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,15,17,19-octaene

C46H32N2 — CID 167246643

IUPAC9-naphthalen-2-yl-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,15,17,19-octaene
SMILESC1=c2c(c3ccccc3n2-c2ccc3ccccc3c2)=C2c3ccccc3N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)C2C1
InChIInChI=1S/C46H32N2/c1-2-10-31(11-3-1)33-18-20-34(21-19-33)35-22-25-37(26-23-35)47-41-16-8-6-14-39(41)45-43(47)28-29-44-46(45)40-15-7-9-17-42(40)48(44)38-27-24-32-12-4-5-13-36(32)30-38/h1-27,29-30,43H,28H2
InChIKeyDBKDINSDLZWTDL-UHFFFAOYSA-N
MW612.78 g/mol
LogP10.02
Rot. Bonds4

About 9-naphthalen-2-yl-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,15,17,19-octaene

9-naphthalen-2-yl-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,15,17,19-octaene (PubChem CID 167246643) has the molecular formula C46H32N2 and a molecular weight of 612.78 g/mol. Its IUPAC name is 9-naphthalen-2-yl-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,15,17,19-octaene.

Molecular Properties

Compound Name9-naphthalen-2-yl-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,15,17,19-octaene
PubChem CID167246643
Molecular FormulaC46H32N2
Molecular Weight612.78 g/mol
Exact Mass612.26
IUPAC Name9-naphthalen-2-yl-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,15,17,19-octaene
SMILESC1=c2c(c3ccccc3n2-c2ccc3ccccc3c2)=C2c3ccccc3N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)C2C1
InChIInChI=1S/C46H32N2/c1-2-10-31(11-3-1)33-18-20-34(21-19-33)35-22-25-37(26-23-35)47-41-16-8-6-14-39(41)45-43(47)28-29-44-46(45)40-15-7-9-17-42(40)48(44)38-27-24-32-12-4-5-13-36(32)30-38/h1-27,29-30,43H,28H2
InChIKeyDBKDINSDLZWTDL-UHFFFAOYSA-N
XLogP10.02
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.78
LogP ≤ 510.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-naphthalen-2-yl-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,15,17,19-octaene with MolForge

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Related Compounds

3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 164948724
9-[4-(9-phenylfluoren-9-yl)phenyl]-3-[9-(4-phenylphenyl)-1,9a-dihydrocarbazol-3-yl]carbazole
CID 134407184
11-naphthalen-2-yl-5-(4-naphthalen-1-ylphenyl)indolo[3,2-b]carbazole
CID 167029703
15,24-dinaphthalen-2-yl-15,24-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.025,30]triaconta-1(23),2,4,6,8(16),9,11,13,17,19,21,25,27,29-tetradecaene
CID 145241644
3-[9-(2-naphthalen-2-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(3-naphthalen-2-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 164991388
2-[9-[2-(3-naphthalen-2-ylphenyl)phenyl]carbazol-2-yl]-9-(4-phenylphenyl)carbazole
CID 142314944
3-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764142
3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-(3-phenylphenyl)carbazole;9-naphthalen-2-yl-3-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]carbazole
CID 158991162
3-[3-[2-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764145
3-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158169511
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-[3-(2-phenylphenyl)phenyl]carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 165109371
9-(4-naphthalen-1-ylphenyl)-3-(4-naphthalen-2-ylphenyl)-6-phenylcarbazole
CID 177074708

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,15,17,19-octaene?
The IUPAC name of 9-naphthalen-2-yl-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,15,17,19-octaene (CID 167246643) is 9-naphthalen-2-yl-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,15,17,19-octaene.
What is the SMILES notation for 9-naphthalen-2-yl-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,15,17,19-octaene?
The canonical SMILES for 9-naphthalen-2-yl-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,15,17,19-octaene is C1=c2c(c3ccccc3n2-c2ccc3ccccc3c2)=C2c3ccccc3N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)C2C1.
What is the InChIKey of 9-naphthalen-2-yl-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,15,17,19-octaene?
The InChIKey is DBKDINSDLZWTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2/c1-2-10-31(11-3-1)33-18-20-34(21-19-33)35-22-25-37(26-23-35)47-41-16-8-6-14-39(41)45-43(47)28-29-44-46(45)40-15-7-9-17-42(40)48(44)38-27-24-32-12-4-5-13-36(32)30-38/h1-27,29-30,43H,28H2.
What are the key properties of 9-naphthalen-2-yl-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,15,17,19-octaene?
9-naphthalen-2-yl-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,15,17,19-octaene has a molecular weight of 612.78 g/mol, XLogP of 10.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-2-yl-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,15,17,19-octaene is sourced from PubChem (CID 167246643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).