2-N,4-N-bis(9,9-dimethylfluoren-2-yl)-2-N,4-N-diphenylchrysene-2,4-diamine

C60H46N2 — CID 170410631

IUPAC2-N,4-N-bis(9,9-dimethylfluoren-2-yl)-2-N,4-N-diphenylchrysene-2,4-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4c(ccc5c6ccccc6ccc54)c3)cc21
InChIInChI=1S/C60H46N2/c1-59(2)53-25-15-13-23-48(53)50-33-29-43(36-55(50)59)61(41-18-7-5-8-19-41)45-35-40-28-31-47-46-22-12-11-17-39(46)27-32-52(47)58(40)57(38-45)62(42-20-9-6-10-21-42)44-30-34-51-49-24-14-16-26-54(49)60(3,4)56(51)37-44/h5-38H,1-4H3
InChIKeyOHXNCSRMLMKOIG-UHFFFAOYSA-N
MW795.04 g/mol
LogP16.70
Rot. Bonds6

About 2-N,4-N-bis(9,9-dimethylfluoren-2-yl)-2-N,4-N-diphenylchrysene-2,4-diamine

2-N,4-N-bis(9,9-dimethylfluoren-2-yl)-2-N,4-N-diphenylchrysene-2,4-diamine (PubChem CID 170410631) has the molecular formula C60H46N2 and a molecular weight of 795.04 g/mol. Its IUPAC name is 2-N,4-N-bis(9,9-dimethylfluoren-2-yl)-2-N,4-N-diphenylchrysene-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(9,9-dimethylfluoren-2-yl)-2-N,4-N-diphenylchrysene-2,4-diamine
PubChem CID170410631
Molecular FormulaC60H46N2
Molecular Weight795.04 g/mol
Exact Mass794.37
IUPAC Name2-N,4-N-bis(9,9-dimethylfluoren-2-yl)-2-N,4-N-diphenylchrysene-2,4-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4c(ccc5c6ccccc6ccc54)c3)cc21
InChIInChI=1S/C60H46N2/c1-59(2)53-25-15-13-23-48(53)50-33-29-43(36-55(50)59)61(41-18-7-5-8-19-41)45-35-40-28-31-47-46-22-12-11-17-39(46)27-32-52(47)58(40)57(38-45)62(42-20-9-6-10-21-42)44-30-34-51-49-24-14-16-26-54(49)60(3,4)56(51)37-44/h5-38H,1-4H3
InChIKeyOHXNCSRMLMKOIG-UHFFFAOYSA-N
XLogP16.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.04
LogP ≤ 516.70
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,N-bis(9,9-dimethylfluoren-2-yl)chrysen-2-amine
CID 170139827
N-(9,9-dimethylfluoren-2-yl)-N-phenylpentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaen-10-amine
CID 167087586
2-N-(9,9-dimethylfluoren-2-yl)-7-N-[7-(N-(9,9-dimethylfluoren-2-yl)anilino)phenanthren-2-yl]-2-N,7-N-diphenylphenanthrene-2,7-diamine;2-N,7-N-dinaphthalen-1-yl-2-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-7-N-phenylphenanthrene-2,7-diamine;2-N-naphthalen-1-yl-7-N-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]-2-N-phenyl-7-N-(4-phenylphenyl)phenanthrene-2,7-diamine
CID 158290526
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-2-amine
CID 170139798
1-N,3-N-bis(9,9-dimethylfluoren-3-yl)-1-N,3-N-diphenylphenanthrene-1,3-diamine
CID 162490122
16-N-(9,9-dimethylfluoren-2-yl)-16-N-phenanthren-2-yl-5-N,5-N-diphenyl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13(18),14,16,20(24),21-undecaene-5,16-diamine
CID 118030248
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine
CID 167412224
N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-1-amine;N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-2-amine;9,9-dimethyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine
CID 160741584
N-(4-chrysen-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine
CID 170675874
N-(9,9-dimethylfluoren-2-yl)-N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-15,15-dimethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine
CID 129118409
10,10-dimethyl-N-phenyl-N-triphenylen-2-ylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-amine
CID 168740172
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenanthren-9-yl-N-phenylfluoren-2-amine
CID 118500286

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(9,9-dimethylfluoren-2-yl)-2-N,4-N-diphenylchrysene-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(9,9-dimethylfluoren-2-yl)-2-N,4-N-diphenylchrysene-2,4-diamine (CID 170410631) is 2-N,4-N-bis(9,9-dimethylfluoren-2-yl)-2-N,4-N-diphenylchrysene-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(9,9-dimethylfluoren-2-yl)-2-N,4-N-diphenylchrysene-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(9,9-dimethylfluoren-2-yl)-2-N,4-N-diphenylchrysene-2,4-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4c(ccc5c6ccccc6ccc54)c3)cc21.
What is the InChIKey of 2-N,4-N-bis(9,9-dimethylfluoren-2-yl)-2-N,4-N-diphenylchrysene-2,4-diamine?
The InChIKey is OHXNCSRMLMKOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H46N2/c1-59(2)53-25-15-13-23-48(53)50-33-29-43(36-55(50)59)61(41-18-7-5-8-19-41)45-35-40-28-31-47-46-22-12-11-17-39(46)27-32-52(47)58(40)57(38-45)62(42-20-9-6-10-21-42)44-30-34-51-49-24-14-16-26-54(49)60(3,4)56(51)37-44/h5-38H,1-4H3.
What are the key properties of 2-N,4-N-bis(9,9-dimethylfluoren-2-yl)-2-N,4-N-diphenylchrysene-2,4-diamine?
2-N,4-N-bis(9,9-dimethylfluoren-2-yl)-2-N,4-N-diphenylchrysene-2,4-diamine has a molecular weight of 795.04 g/mol, XLogP of 16.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(9,9-dimethylfluoren-2-yl)-2-N,4-N-diphenylchrysene-2,4-diamine is sourced from PubChem (CID 170410631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).