1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene;1-naphthalen-1-yl-3,6-dinaphthalen-2-ylpyrene;3-naphthalen-1-yl-1,6-diphenylpyrene;3-naphthalen-2-yl-1,6-diphenylpyrene;5-naphthalen-1-yl-1-naphthalen-2-ylpyrene

About 1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene;1-naphthalen-1-yl-3,6-dinaphthalen-2-ylpyrene;3-naphthalen-1-yl-1,6-diphenylpyrene;3-naphthalen-2-yl-1,6-diphenylpyrene;5-naphthalen-1-yl-1-naphthalen-2-ylpyrene

1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene;1-naphthalen-1-yl-3,6-dinaphthalen-2-ylpyrene;3-naphthalen-1-yl-1,6-diphenylpyrene;3-naphthalen-2-yl-1,6-diphenylpyrene;5-naphthalen-1-yl-1-naphthalen-2-ylpyrene (PubChem CID 161018965) has the molecular formula C199H126 and a molecular weight of 2517.20 g/mol. Its IUPAC name is 1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene;1-naphthalen-1-yl-3,6-dinaphthalen-2-ylpyrene;3-naphthalen-1-yl-1,6-diphenylpyrene;3-naphthalen-2-yl-1,6-diphenylpyrene;5-naphthalen-1-yl-1-naphthalen-2-ylpyrene.

Molecular Properties

Compound Name	1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene;1-naphthalen-1-yl-3,6-dinaphthalen-2-ylpyrene;3-naphthalen-1-yl-1,6-diphenylpyrene;3-naphthalen-2-yl-1,6-diphenylpyrene;5-naphthalen-1-yl-1-naphthalen-2-ylpyrene
PubChem CID	161018965
Molecular Formula	C199H126
Molecular Weight	2517.20 g/mol
Exact Mass	2514.99
IUPAC Name	1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene;1-naphthalen-1-yl-3,6-dinaphthalen-2-ylpyrene;3-naphthalen-1-yl-1,6-diphenylpyrene;3-naphthalen-2-yl-1,6-diphenylpyrene;5-naphthalen-1-yl-1-naphthalen-2-ylpyrene
SMILES	CC1(C)c2cc(-c3cccc4ccccc34)ccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21.c1ccc(-c2ccc3ccc4c(-c5ccccc5)cc(-c5ccc6ccccc6c5)c5ccc2c3c45)cc1.c1ccc(-c2ccc3ccc4c(-c5ccccc5)cc(-c5cccc6ccccc56)c5ccc2c3c45)cc1.c1ccc2cc(-c3ccc4cc(-c5cccc6ccccc56)c5cccc6ccc3c4c65)ccc2c1.c1ccc2cc(-c3ccc4ccc5c(-c6cccc7ccccc67)cc(-c6ccc7ccccc7c6)c6ccc3c4c65)ccc2c1
InChI	InChI=1S/C46H28.C41H28.2C38H24.C36H22/c1-3-11-33-26-35(18-16-29(33)8-1)38-22-20-32-21-23-42-44(39-15-7-13-31-10-5-6-14-37(31)39)28-43(41-25-24-40(38)45(32)46(41)42)36-19-17-30-9-2-4-12-34(30)27-36;1-41(2)37-23-29(32-12-6-8-25-7-3-4-11-31(25)32)17-20-34(37)35-21-18-30(24-38(35)41)33-19-15-28-14-13-26-9-5-10-27-16-22-36(33)40(28)39(26)27;1-3-10-25(11-4-1)30-20-18-28-19-21-33-35(27-12-5-2-6-13-27)24-36(34-23-22-32(30)37(28)38(33)34)31-17-9-15-26-14-7-8-16-29(26)31;1-3-10-26(11-4-1)31-19-17-28-18-20-33-35(27-12-5-2-6-13-27)24-36(34-22-21-32(31)37(28)38(33)34)30-16-15-25-9-7-8-14-29(25)23-30;1-2-9-26-21-27(16-15-23(26)7-1)30-19-18-28-22-34(31-13-5-10-24-8-3-4-12-29(24)31)32-14-6-11-25-17-20-33(30)36(28)35(25)32/h1-28H;3-24H,1-2H3;2*1-24H;1-22H
InChIKey	TYCJLCCTEMKTNL-UHFFFAOYSA-N
XLogP	56.12
TPSA	0.00 Å²
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds	13
Heavy Atoms	199
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2517.20
LogP ≤ 5	56.12
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 1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene;1-naphthalen-1-yl-3,6-dinaphthalen-2-ylpyrene;3-naphthalen-1-yl-1,6-diphenylpyrene;3-naphthalen-2-yl-1,6-diphenylpyrene;5-naphthalen-1-yl-1-naphthalen-2-ylpyrene?

The IUPAC name of 1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene;1-naphthalen-1-yl-3,6-dinaphthalen-2-ylpyrene;3-naphthalen-1-yl-1,6-diphenylpyrene;3-naphthalen-2-yl-1,6-diphenylpyrene;5-naphthalen-1-yl-1-naphthalen-2-ylpyrene (CID 161018965) is 1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene;1-naphthalen-1-yl-3,6-dinaphthalen-2-ylpyrene;3-naphthalen-1-yl-1,6-diphenylpyrene;3-naphthalen-2-yl-1,6-diphenylpyrene;5-naphthalen-1-yl-1-naphthalen-2-ylpyrene.

What is the SMILES notation for 1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene;1-naphthalen-1-yl-3,6-dinaphthalen-2-ylpyrene;3-naphthalen-1-yl-1,6-diphenylpyrene;3-naphthalen-2-yl-1,6-diphenylpyrene;5-naphthalen-1-yl-1-naphthalen-2-ylpyrene?

The canonical SMILES for 1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene;1-naphthalen-1-yl-3,6-dinaphthalen-2-ylpyrene;3-naphthalen-1-yl-1,6-diphenylpyrene;3-naphthalen-2-yl-1,6-diphenylpyrene;5-naphthalen-1-yl-1-naphthalen-2-ylpyrene is CC1(C)c2cc(-c3cccc4ccccc34)ccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21.c1ccc(-c2ccc3ccc4c(-c5ccccc5)cc(-c5ccc6ccccc6c5)c5ccc2c3c45)cc1.c1ccc(-c2ccc3ccc4c(-c5ccccc5)cc(-c5cccc6ccccc56)c5ccc2c3c45)cc1.c1ccc2cc(-c3ccc4cc(-c5cccc6ccccc56)c5cccc6ccc3c4c65)ccc2c1.c1ccc2cc(-c3ccc4ccc5c(-c6cccc7ccccc67)cc(-c6ccc7ccccc7c6)c6ccc3c4c65)ccc2c1.

What is the InChIKey of 1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene;1-naphthalen-1-yl-3,6-dinaphthalen-2-ylpyrene;3-naphthalen-1-yl-1,6-diphenylpyrene;3-naphthalen-2-yl-1,6-diphenylpyrene;5-naphthalen-1-yl-1-naphthalen-2-ylpyrene?

The InChIKey is TYCJLCCTEMKTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28.C41H28.2C38H24.C36H22/c1-3-11-33-26-35(18-16-29(33)8-1)38-22-20-32-21-23-42-44(39-15-7-13-31-10-5-6-14-37(31)39)28-43(41-25-24-40(38)45(32)46(41)42)36-19-17-30-9-2-4-12-34(30)27-36;1-41(2)37-23-29(32-12-6-8-25-7-3-4-11-31(25)32)17-20-34(37)35-21-18-30(24-38(35)41)33-19-15-28-14-13-26-9-5-10-27-16-22-36(33)40(28)39(26)27;1-3-10-25(11-4-1)30-20-18-28-19-21-33-35(27-12-5-2-6-13-27)24-36(34-23-22-32(30)37(28)38(33)34)31-17-9-15-26-14-7-8-16-29(26)31;1-3-10-26(11-4-1)31-19-17-28-18-20-33-35(27-12-5-2-6-13-27)24-36(34-22-21-32(31)37(28)38(33)34)30-16-15-25-9-7-8-14-29(25)23-30;1-2-9-26-21-27(16-15-23(26)7-1)30-19-18-28-22-34(31-13-5-10-24-8-3-4-12-29(24)31)32-14-6-11-25-17-20-33(30)36(28)35(25)32/h1-28H;3-24H,1-2H3;2*1-24H;1-22H.

What are the key properties of 1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene;1-naphthalen-1-yl-3,6-dinaphthalen-2-ylpyrene;3-naphthalen-1-yl-1,6-diphenylpyrene;3-naphthalen-2-yl-1,6-diphenylpyrene;5-naphthalen-1-yl-1-naphthalen-2-ylpyrene?

1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene;1-naphthalen-1-yl-3,6-dinaphthalen-2-ylpyrene;3-naphthalen-1-yl-1,6-diphenylpyrene;3-naphthalen-2-yl-1,6-diphenylpyrene;5-naphthalen-1-yl-1-naphthalen-2-ylpyrene has a molecular weight of 2517.20 g/mol, XLogP of 56.12, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene;1-naphthalen-1-yl-3,6-dinaphthalen-2-ylpyrene;3-naphthalen-1-yl-1,6-diphenylpyrene;3-naphthalen-2-yl-1,6-diphenylpyrene;5-naphthalen-1-yl-1-naphthalen-2-ylpyrene is sourced from PubChem (CID 161018965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).