1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine

C70H52N2 — CID 58322989

IUPAC1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(-c4ccccc4)c4ccc5c(N(c6ccccc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc(-c6ccccc6)c6ccc3c4c65)cc21
InChIInChI=1S/C70H52N2/c1-69(2)61-31-19-17-29-51(61)53-35-33-49(41-63(53)69)71(47-25-13-7-14-26-47)65-43-59(45-21-9-5-10-22-45)55-38-40-58-66(44-60(46-23-11-6-12-24-46)56-37-39-57(65)67(55)68(56)58)72(48-27-15-8-16-28-48)50-34-36-54-52-30-18-20-32-62(52)70(3,4)64(54)42-50/h5-44H,1-4H3
InChIKeyOYVMFVHLEBCZLH-UHFFFAOYSA-N
MW921.20 g/mol
LogP19.47
Rot. Bonds8

About 1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine

1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine (PubChem CID 58322989) has the molecular formula C70H52N2 and a molecular weight of 921.20 g/mol. Its IUPAC name is 1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine.

Molecular Properties

Compound Name1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine
PubChem CID58322989
Molecular FormulaC70H52N2
Molecular Weight921.20 g/mol
Exact Mass920.41
IUPAC Name1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(-c4ccccc4)c4ccc5c(N(c6ccccc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc(-c6ccccc6)c6ccc3c4c65)cc21
InChIInChI=1S/C70H52N2/c1-69(2)61-31-19-17-29-51(61)53-35-33-49(41-63(53)69)71(47-25-13-7-14-26-47)65-43-59(45-21-9-5-10-22-45)55-38-40-58-66(44-60(46-23-11-6-12-24-46)56-37-39-57(65)67(55)68(56)58)72(48-27-15-8-16-28-48)50-34-36-54-52-30-18-20-32-62(52)70(3,4)64(54)42-50/h5-44H,1-4H3
InChIKeyOYVMFVHLEBCZLH-UHFFFAOYSA-N
XLogP19.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500921.20
LogP ≤ 519.47
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

N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 176611399
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine
CID 59221599
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)-2-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 137389722
9,9-dimethyl-N,N-bis(2-phenylphenyl)fluoren-2-amine
CID 118245783
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170120869
6-N-(9,9-dimethylfluoren-2-yl)-6-N-(3,5-diphenylphenyl)-1,8-dimethyl-3-N,3-N-diphenylbenzo[e]pyrene-3,6-diamine
CID 118581704
9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-[2-phenyl-4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155221094
N-(4-benzo[c]phenanthren-6-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 167184350
N-[3,4-bis(4-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134198401

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine?
The IUPAC name of 1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine (CID 58322989) is 1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine.
What is the SMILES notation for 1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine?
The canonical SMILES for 1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(-c4ccccc4)c4ccc5c(N(c6ccccc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc(-c6ccccc6)c6ccc3c4c65)cc21.
What is the InChIKey of 1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine?
The InChIKey is OYVMFVHLEBCZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H52N2/c1-69(2)61-31-19-17-29-51(61)53-35-33-49(41-63(53)69)71(47-25-13-7-14-26-47)65-43-59(45-21-9-5-10-22-45)55-38-40-58-66(44-60(46-23-11-6-12-24-46)56-37-39-57(65)67(55)68(56)58)72(48-27-15-8-16-28-48)50-34-36-54-52-30-18-20-32-62(52)70(3,4)64(54)42-50/h5-44H,1-4H3.
What are the key properties of 1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine?
1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine has a molecular weight of 921.20 g/mol, XLogP of 19.47, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-bis(9,9-dimethylfluoren-2-yl)-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine is sourced from PubChem (CID 58322989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).