9,9-diethyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-7-(9-phenylcarbazol-3-yl)-1,2-dihydrofluoren-2-amine

C67H52N2 — CID 163634944

IUPAC9,9-diethyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-7-(9-phenylcarbazol-3-yl)-1,2-dihydrofluoren-2-amine
SMILESCCC1(CC)C2=C(C=CC(N(c3ccccc3)c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)C2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C67H52N2/c1-3-67(4-2)61-43-48(47-35-41-64-60(42-47)55-26-18-19-31-63(55)69(64)50-24-12-7-13-25-50)34-39-53(61)54-40-38-52(44-62(54)67)68(49-22-10-6-11-23-49)51-36-32-46(33-37-51)66-58-29-16-14-27-56(58)65(45-20-8-5-9-21-45)57-28-15-17-30-59(57)66/h5-43,52H,3-4,44H2,1-2H3
InChIKeyHZGSDTSAMXANRP-UHFFFAOYSA-N
MW885.17 g/mol
LogP18.08
Rot. Bonds9

About 9,9-diethyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-7-(9-phenylcarbazol-3-yl)-1,2-dihydrofluoren-2-amine

9,9-diethyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-7-(9-phenylcarbazol-3-yl)-1,2-dihydrofluoren-2-amine (PubChem CID 163634944) has the molecular formula C67H52N2 and a molecular weight of 885.17 g/mol. Its IUPAC name is 9,9-diethyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-7-(9-phenylcarbazol-3-yl)-1,2-dihydrofluoren-2-amine.

Molecular Properties

Compound Name9,9-diethyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-7-(9-phenylcarbazol-3-yl)-1,2-dihydrofluoren-2-amine
PubChem CID163634944
Molecular FormulaC67H52N2
Molecular Weight885.17 g/mol
Exact Mass884.41
IUPAC Name9,9-diethyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-7-(9-phenylcarbazol-3-yl)-1,2-dihydrofluoren-2-amine
SMILESCCC1(CC)C2=C(C=CC(N(c3ccccc3)c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)C2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C67H52N2/c1-3-67(4-2)61-43-48(47-35-41-64-60(42-47)55-26-18-19-31-63(55)69(64)50-24-12-7-13-25-50)34-39-53(61)54-40-38-52(44-62(54)67)68(49-22-10-6-11-23-49)51-36-32-46(33-37-51)66-58-29-16-14-27-56(58)65(45-20-8-5-9-21-45)57-28-15-17-30-59(57)66/h5-43,52H,3-4,44H2,1-2H3
InChIKeyHZGSDTSAMXANRP-UHFFFAOYSA-N
XLogP18.08
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.17
LogP ≤ 518.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2,3,3-trimethyl-1-(2-methylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-4,5-dihydroinden-5-amine
CID 144856777
N-(4-carbazol-9-ylphenyl)-4-[4-[10-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anthracen-9-yl]phenyl]-N-phenylaniline
CID 89196839
7,9,9-trimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)-7,8-dihydrofluoren-2-amine
CID 146211458
9-phenyl-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole
CID 168729215
3-(8,8-dimethyl-14-phenyl-5-pentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaenyl)-9-phenylcarbazole
CID 130264649
3-(9,9-diethyl-7-tritylfluoren-2-yl)-9-phenylcarbazole
CID 59221286
4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]-N-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 163772307
N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline
CID 59827974
N,9-diphenyl-N-[7'-(10-phenylanthracen-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazol-3-amine
CID 58850678
9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 59306636
N-(9,9-dimethyl-1,2-dihydrofluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-g]carbazol-3-amine
CID 163600891
4-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 59282036

Frequently Asked Questions

What is the IUPAC name of 9,9-diethyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-7-(9-phenylcarbazol-3-yl)-1,2-dihydrofluoren-2-amine?
The IUPAC name of 9,9-diethyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-7-(9-phenylcarbazol-3-yl)-1,2-dihydrofluoren-2-amine (CID 163634944) is 9,9-diethyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-7-(9-phenylcarbazol-3-yl)-1,2-dihydrofluoren-2-amine.
What is the SMILES notation for 9,9-diethyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-7-(9-phenylcarbazol-3-yl)-1,2-dihydrofluoren-2-amine?
The canonical SMILES for 9,9-diethyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-7-(9-phenylcarbazol-3-yl)-1,2-dihydrofluoren-2-amine is CCC1(CC)C2=C(C=CC(N(c3ccccc3)c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)C2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21.
What is the InChIKey of 9,9-diethyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-7-(9-phenylcarbazol-3-yl)-1,2-dihydrofluoren-2-amine?
The InChIKey is HZGSDTSAMXANRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H52N2/c1-3-67(4-2)61-43-48(47-35-41-64-60(42-47)55-26-18-19-31-63(55)69(64)50-24-12-7-13-25-50)34-39-53(61)54-40-38-52(44-62(54)67)68(49-22-10-6-11-23-49)51-36-32-46(33-37-51)66-58-29-16-14-27-56(58)65(45-20-8-5-9-21-45)57-28-15-17-30-59(57)66/h5-43,52H,3-4,44H2,1-2H3.
What are the key properties of 9,9-diethyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-7-(9-phenylcarbazol-3-yl)-1,2-dihydrofluoren-2-amine?
9,9-diethyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-7-(9-phenylcarbazol-3-yl)-1,2-dihydrofluoren-2-amine has a molecular weight of 885.17 g/mol, XLogP of 18.08, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-diethyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-7-(9-phenylcarbazol-3-yl)-1,2-dihydrofluoren-2-amine is sourced from PubChem (CID 163634944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).