1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)-2,6-dipropylphenyl]pyrene-1,6-diamine

C90H76N2 — CID 118333123

IUPAC1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)-2,6-dipropylphenyl]pyrene-1,6-diamine
SMILESCCCc1cc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc(CCC)c1N(c1ccccc1)c1ccc2ccc3c(N(c4ccccc4)c4c(CCC)cc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4CCC)ccc4ccc1c2c43
InChIInChI=1S/C90H76N2/c1-5-29-63-57-69(89(67-33-13-9-14-34-67)79-45-25-21-41-73(79)74-42-22-26-46-80(74)89)58-64(30-6-2)87(63)91(71-37-17-11-18-38-71)83-55-51-61-50-54-78-84(56-52-62-49-53-77(83)85(61)86(62)78)92(72-39-19-12-20-40-72)88-65(31-7-3)59-70(60-66(88)32-8-4)90(68-35-15-10-16-36-68)81-47-27-23-43-75(81)76-44-24-28-48-82(76)90/h9-28,33-60H,5-8,29-32H2,1-4H3
InChIKeyPKPBFAGNVDVNRA-UHFFFAOYSA-N
MW1185.61 g/mol
LogP24.06
Rot. Bonds18

About 1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)-2,6-dipropylphenyl]pyrene-1,6-diamine

1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)-2,6-dipropylphenyl]pyrene-1,6-diamine (PubChem CID 118333123) has the molecular formula C90H76N2 and a molecular weight of 1185.61 g/mol. Its IUPAC name is 1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)-2,6-dipropylphenyl]pyrene-1,6-diamine.

Molecular Properties

Compound Name1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)-2,6-dipropylphenyl]pyrene-1,6-diamine
PubChem CID118333123
Molecular FormulaC90H76N2
Molecular Weight1185.61 g/mol
Exact Mass1184.60
IUPAC Name1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)-2,6-dipropylphenyl]pyrene-1,6-diamine
SMILESCCCc1cc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc(CCC)c1N(c1ccccc1)c1ccc2ccc3c(N(c4ccccc4)c4c(CCC)cc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4CCC)ccc4ccc1c2c43
InChIInChI=1S/C90H76N2/c1-5-29-63-57-69(89(67-33-13-9-14-34-67)79-45-25-21-41-73(79)74-42-22-26-46-80(74)89)58-64(30-6-2)87(63)91(71-37-17-11-18-38-71)83-55-51-61-50-54-78-84(56-52-62-49-53-77(83)85(61)86(62)78)92(72-39-19-12-20-40-72)88-65(31-7-3)59-70(60-66(88)32-8-4)90(68-35-15-10-16-36-68)81-47-27-23-43-75(81)76-44-24-28-48-82(76)90/h9-28,33-60H,5-8,29-32H2,1-4H3
InChIKeyPKPBFAGNVDVNRA-UHFFFAOYSA-N
XLogP24.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001185.61
LogP ≤ 524.06
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

1-N,6-N-diphenyl-1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine
CID 58233528
N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]pyren-1-amine
CID 58233592
1-N,1-N-bis(3,5-dimethylphenyl)-6-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine
CID 126743874
1-N,6-N-bis[2,6-dimethyl-4-(9-phenylfluoren-9-yl)phenyl]-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine
CID 118333129
1-N,6-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-1-N,6-N-bis(3-propan-2-ylphenyl)pyrene-1,6-diamine
CID 58233584
1-N,6-N-bis(2,6-diethylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 134169489
1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 159641175
1-N,6-N-bis(2,6-dimethylphenyl)-3,8-diphenyl-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-6-N-[4-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine
CID 118333146
1-N,6-N-bis(3-methylphenyl)-6-N-[3-[[2-(2-methylphenyl)phenyl]-phenylmethyl]phenyl]-1-N-[3-(9-phenylfluoren-9-yl)phenyl]pyrene-1,6-diamine
CID 88958678
1-N,3-N-diphenyl-5-(9-phenylfluoren-9-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 130266146
N-chrysen-5-yl-N-phenyl-9,9'-spirobi[fluorene]-3-amine
CID 164747986
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-4-amine
CID 135271681

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)-2,6-dipropylphenyl]pyrene-1,6-diamine?
The IUPAC name of 1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)-2,6-dipropylphenyl]pyrene-1,6-diamine (CID 118333123) is 1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)-2,6-dipropylphenyl]pyrene-1,6-diamine.
What is the SMILES notation for 1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)-2,6-dipropylphenyl]pyrene-1,6-diamine?
The canonical SMILES for 1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)-2,6-dipropylphenyl]pyrene-1,6-diamine is CCCc1cc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc(CCC)c1N(c1ccccc1)c1ccc2ccc3c(N(c4ccccc4)c4c(CCC)cc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4CCC)ccc4ccc1c2c43.
What is the InChIKey of 1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)-2,6-dipropylphenyl]pyrene-1,6-diamine?
The InChIKey is PKPBFAGNVDVNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H76N2/c1-5-29-63-57-69(89(67-33-13-9-14-34-67)79-45-25-21-41-73(79)74-42-22-26-46-80(74)89)58-64(30-6-2)87(63)91(71-37-17-11-18-38-71)83-55-51-61-50-54-78-84(56-52-62-49-53-77(83)85(61)86(62)78)92(72-39-19-12-20-40-72)88-65(31-7-3)59-70(60-66(88)32-8-4)90(68-35-15-10-16-36-68)81-47-27-23-43-75(81)76-44-24-28-48-82(76)90/h9-28,33-60H,5-8,29-32H2,1-4H3.
What are the key properties of 1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)-2,6-dipropylphenyl]pyrene-1,6-diamine?
1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)-2,6-dipropylphenyl]pyrene-1,6-diamine has a molecular weight of 1185.61 g/mol, XLogP of 24.06, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-diphenyl-1-N,6-N-bis[4-(9-phenylfluoren-9-yl)-2,6-dipropylphenyl]pyrene-1,6-diamine is sourced from PubChem (CID 118333123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).