9,9-dimethyl-N,N-bis(4-phenylphenyl)-7-[4-(4-phenyl-N-(4-phenylphenyl)anilino)-2-propan-2-ylphenyl]fluoren-2-amine

C72H58N2 — CID 123762501

IUPAC9,9-dimethyl-N,N-bis(4-phenylphenyl)-7-[4-(4-phenyl-N-(4-phenylphenyl)anilino)-2-propan-2-ylphenyl]fluoren-2-amine
SMILESCC(C)c1cc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)ccc1-c1ccc2c(c1)C(C)(C)c1cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc1-2
InChIInChI=1S/C72H58N2/c1-50(2)69-48-64(73(60-34-25-55(26-35-60)51-17-9-5-10-18-51)61-36-27-56(28-37-61)52-19-11-6-12-20-52)42-45-66(69)59-33-44-67-68-46-43-65(49-71(68)72(3,4)70(67)47-59)74(62-38-29-57(30-39-62)53-21-13-7-14-22-53)63-40-31-58(32-41-63)54-23-15-8-16-24-54/h5-50H,1-4H3
InChIKeyCXFNICVOUDIDDU-UHFFFAOYSA-N
MW951.27 g/mol
LogP20.39
Rot. Bonds12

About 9,9-dimethyl-N,N-bis(4-phenylphenyl)-7-[4-(4-phenyl-N-(4-phenylphenyl)anilino)-2-propan-2-ylphenyl]fluoren-2-amine

9,9-dimethyl-N,N-bis(4-phenylphenyl)-7-[4-(4-phenyl-N-(4-phenylphenyl)anilino)-2-propan-2-ylphenyl]fluoren-2-amine (PubChem CID 123762501) has the molecular formula C72H58N2 and a molecular weight of 951.27 g/mol. Its IUPAC name is 9,9-dimethyl-N,N-bis(4-phenylphenyl)-7-[4-(4-phenyl-N-(4-phenylphenyl)anilino)-2-propan-2-ylphenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N,N-bis(4-phenylphenyl)-7-[4-(4-phenyl-N-(4-phenylphenyl)anilino)-2-propan-2-ylphenyl]fluoren-2-amine
PubChem CID123762501
Molecular FormulaC72H58N2
Molecular Weight951.27 g/mol
Exact Mass950.46
IUPAC Name9,9-dimethyl-N,N-bis(4-phenylphenyl)-7-[4-(4-phenyl-N-(4-phenylphenyl)anilino)-2-propan-2-ylphenyl]fluoren-2-amine
SMILESCC(C)c1cc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)ccc1-c1ccc2c(c1)C(C)(C)c1cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc1-2
InChIInChI=1S/C72H58N2/c1-50(2)69-48-64(73(60-34-25-55(26-35-60)51-17-9-5-10-18-51)61-36-27-56(28-37-61)52-19-11-6-12-20-52)42-45-66(69)59-33-44-67-68-46-43-65(49-71(68)72(3,4)70(67)47-59)74(62-38-29-57(30-39-62)53-21-13-7-14-22-53)63-40-31-58(32-41-63)54-23-15-8-16-24-54/h5-50H,1-4H3
InChIKeyCXFNICVOUDIDDU-UHFFFAOYSA-N
XLogP20.39
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500951.27
LogP ≤ 520.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-7-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428445
2-N,2-N,7-N,7-N-tetrakis(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine
CID 20759573
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 118428449
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 131994094
2-N,7-N-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 23561352
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenyl-7-(4-phenylphenyl)fluoren-2-amine
CID 118428411
N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 118500262
9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)-N-phenyl-N-(6-phenylnaphthalen-2-yl)fluoren-2-amine
CID 118500358
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697
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

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N,N-bis(4-phenylphenyl)-7-[4-(4-phenyl-N-(4-phenylphenyl)anilino)-2-propan-2-ylphenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N,N-bis(4-phenylphenyl)-7-[4-(4-phenyl-N-(4-phenylphenyl)anilino)-2-propan-2-ylphenyl]fluoren-2-amine (CID 123762501) is 9,9-dimethyl-N,N-bis(4-phenylphenyl)-7-[4-(4-phenyl-N-(4-phenylphenyl)anilino)-2-propan-2-ylphenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N,N-bis(4-phenylphenyl)-7-[4-(4-phenyl-N-(4-phenylphenyl)anilino)-2-propan-2-ylphenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N,N-bis(4-phenylphenyl)-7-[4-(4-phenyl-N-(4-phenylphenyl)anilino)-2-propan-2-ylphenyl]fluoren-2-amine is CC(C)c1cc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)ccc1-c1ccc2c(c1)C(C)(C)c1cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc1-2.
What is the InChIKey of 9,9-dimethyl-N,N-bis(4-phenylphenyl)-7-[4-(4-phenyl-N-(4-phenylphenyl)anilino)-2-propan-2-ylphenyl]fluoren-2-amine?
The InChIKey is CXFNICVOUDIDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H58N2/c1-50(2)69-48-64(73(60-34-25-55(26-35-60)51-17-9-5-10-18-51)61-36-27-56(28-37-61)52-19-11-6-12-20-52)42-45-66(69)59-33-44-67-68-46-43-65(49-71(68)72(3,4)70(67)47-59)74(62-38-29-57(30-39-62)53-21-13-7-14-22-53)63-40-31-58(32-41-63)54-23-15-8-16-24-54/h5-50H,1-4H3.
What are the key properties of 9,9-dimethyl-N,N-bis(4-phenylphenyl)-7-[4-(4-phenyl-N-(4-phenylphenyl)anilino)-2-propan-2-ylphenyl]fluoren-2-amine?
9,9-dimethyl-N,N-bis(4-phenylphenyl)-7-[4-(4-phenyl-N-(4-phenylphenyl)anilino)-2-propan-2-ylphenyl]fluoren-2-amine has a molecular weight of 951.27 g/mol, XLogP of 20.39, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N,N-bis(4-phenylphenyl)-7-[4-(4-phenyl-N-(4-phenylphenyl)anilino)-2-propan-2-ylphenyl]fluoren-2-amine is sourced from PubChem (CID 123762501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).