9-[6-[7-[3,5-di(propan-2-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]phenanthrene;9-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;9-[3-(3-phenanthren-9-ylphenyl)phenyl]phenanthrene;3,6,9,10-tetraphenylphenanthrene

About 9-[6-[7-[3,5-di(propan-2-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]phenanthrene;9-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;9-[3-(3-phenanthren-9-ylphenyl)phenyl]phenanthrene;3,6,9,10-tetraphenylphenanthrene

9-[6-[7-[3,5-di(propan-2-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]phenanthrene;9-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;9-[3-(3-phenanthren-9-ylphenyl)phenyl]phenanthrene;3,6,9,10-tetraphenylphenanthrene (PubChem CID 158789115) has the molecular formula C164H116 and a molecular weight of 2086.73 g/mol. Its IUPAC name is 9-[6-[7-[3,5-di(propan-2-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]phenanthrene;9-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;9-[3-(3-phenanthren-9-ylphenyl)phenyl]phenanthrene;3,6,9,10-tetraphenylphenanthrene.

Molecular Properties

Compound Name	9-[6-[7-[3,5-di(propan-2-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]phenanthrene;9-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;9-[3-(3-phenanthren-9-ylphenyl)phenyl]phenanthrene;3,6,9,10-tetraphenylphenanthrene
PubChem CID	158789115
Molecular Formula	C164H116
Molecular Weight	2086.73 g/mol
Exact Mass	2084.91
IUPAC Name	9-[6-[7-[3,5-di(propan-2-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]phenanthrene;9-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;9-[3-(3-phenanthren-9-ylphenyl)phenyl]phenanthrene;3,6,9,10-tetraphenylphenanthrene
SMILES	CC(C)c1cc(-c2ccc3ccc(-c4ccc5cc(-c6cc7ccccc7c7ccccc67)ccc5c4)cc3c2)cc(C(C)C)c1.c1cc(-c2cccc(-c3cc4ccccc4c4ccccc34)c2)cc(-c2cc3ccccc3c3ccccc23)c1.c1ccc(-c2ccc3c(-c4ccccc4)c(-c4ccccc4)c4ccc(-c5ccccc5)cc4c3c2)cc1.c1ccc2cc(-c3ccc4ccc(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5)cc4c3)ccc2c1
InChI	InChI=1S/C46H38.2C40H26.C38H26/c1-29(2)39-25-40(30(3)4)27-42(26-39)36-16-14-31-13-15-35(23-41(31)24-36)32-17-18-34-22-38(20-19-33(34)21-32)46-28-37-9-5-6-10-43(37)44-11-7-8-12-45(44)46;1-3-17-33-31(11-1)25-39(37-21-7-5-19-35(33)37)29-15-9-13-27(23-29)28-14-10-16-30(24-28)40-26-32-12-2-4-18-34(32)36-20-6-8-22-38(36)40;1-2-8-31-23-33(21-15-27(31)7-1)34-22-17-29-16-20-32(24-36(29)25-34)28-13-18-30(19-14-28)40-26-35-9-3-4-10-37(35)38-11-5-6-12-39(38)40;1-5-13-27(14-6-1)31-21-23-33-35(25-31)36-26-32(28-15-7-2-8-16-28)22-24-34(36)38(30-19-11-4-12-20-30)37(33)29-17-9-3-10-18-29/h5-30H,1-4H3;2*1-26H;1-26H
InChIKey	ISAYGTHSUPWNSW-UHFFFAOYSA-N
XLogP	46.81
TPSA	0.00 Å²
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds	15
Heavy Atoms	164
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2086.73
LogP ≤ 5	46.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 9-[6-[7-[3,5-di(propan-2-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]phenanthrene;9-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;9-[3-(3-phenanthren-9-ylphenyl)phenyl]phenanthrene;3,6,9,10-tetraphenylphenanthrene?

The IUPAC name of 9-[6-[7-[3,5-di(propan-2-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]phenanthrene;9-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;9-[3-(3-phenanthren-9-ylphenyl)phenyl]phenanthrene;3,6,9,10-tetraphenylphenanthrene (CID 158789115) is 9-[6-[7-[3,5-di(propan-2-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]phenanthrene;9-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;9-[3-(3-phenanthren-9-ylphenyl)phenyl]phenanthrene;3,6,9,10-tetraphenylphenanthrene.

What is the SMILES notation for 9-[6-[7-[3,5-di(propan-2-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]phenanthrene;9-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;9-[3-(3-phenanthren-9-ylphenyl)phenyl]phenanthrene;3,6,9,10-tetraphenylphenanthrene?

The canonical SMILES for 9-[6-[7-[3,5-di(propan-2-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]phenanthrene;9-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;9-[3-(3-phenanthren-9-ylphenyl)phenyl]phenanthrene;3,6,9,10-tetraphenylphenanthrene is CC(C)c1cc(-c2ccc3ccc(-c4ccc5cc(-c6cc7ccccc7c7ccccc67)ccc5c4)cc3c2)cc(C(C)C)c1.c1cc(-c2cccc(-c3cc4ccccc4c4ccccc34)c2)cc(-c2cc3ccccc3c3ccccc23)c1.c1ccc(-c2ccc3c(-c4ccccc4)c(-c4ccccc4)c4ccc(-c5ccccc5)cc4c3c2)cc1.c1ccc2cc(-c3ccc4ccc(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5)cc4c3)ccc2c1.

What is the InChIKey of 9-[6-[7-[3,5-di(propan-2-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]phenanthrene;9-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;9-[3-(3-phenanthren-9-ylphenyl)phenyl]phenanthrene;3,6,9,10-tetraphenylphenanthrene?

The InChIKey is ISAYGTHSUPWNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H38.2C40H26.C38H26/c1-29(2)39-25-40(30(3)4)27-42(26-39)36-16-14-31-13-15-35(23-41(31)24-36)32-17-18-34-22-38(20-19-33(34)21-32)46-28-37-9-5-6-10-43(37)44-11-7-8-12-45(44)46;1-3-17-33-31(11-1)25-39(37-21-7-5-19-35(33)37)29-15-9-13-27(23-29)28-14-10-16-30(24-28)40-26-32-12-2-4-18-34(32)36-20-6-8-22-38(36)40;1-2-8-31-23-33(21-15-27(31)7-1)34-22-17-29-16-20-32(24-36(29)25-34)28-13-18-30(19-14-28)40-26-35-9-3-4-10-37(35)38-11-5-6-12-39(38)40;1-5-13-27(14-6-1)31-21-23-33-35(25-31)36-26-32(28-15-7-2-8-16-28)22-24-34(36)38(30-19-11-4-12-20-30)37(33)29-17-9-3-10-18-29/h5-30H,1-4H3;2*1-26H;1-26H.

What are the key properties of 9-[6-[7-[3,5-di(propan-2-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]phenanthrene;9-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;9-[3-(3-phenanthren-9-ylphenyl)phenyl]phenanthrene;3,6,9,10-tetraphenylphenanthrene?

Where does this data come from?

All data for 9-[6-[7-[3,5-di(propan-2-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]phenanthrene;9-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;9-[3-(3-phenanthren-9-ylphenyl)phenyl]phenanthrene;3,6,9,10-tetraphenylphenanthrene is sourced from PubChem (CID 158789115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).