12,26-dinaphthalen-2-yl-16-(2-phenylphenyl)spiro[12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene-2,9'-fluorene]

C70H44N2 — CID 134551646

IUPAC12,26-dinaphthalen-2-yl-16-(2-phenylphenyl)spiro[12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene-2,9'-fluorene]
SMILESc1ccc(-c2ccccc2C2c3cc4c(cc3C3(c5ccccc5-c5ccccc53)c3cc5c(cc32)c2ccccc2n5-c2ccc3ccccc3c2)c2ccccc2n4-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C70H44N2/c1-2-20-46(21-3-1)51-24-8-9-29-56(51)69-59-40-57-54-27-12-16-32-65(54)72(50-37-35-45-19-5-7-23-48(45)39-50)68(57)43-64(59)70(61-30-14-10-25-52(61)53-26-11-15-31-62(53)70)63-41-58-55-28-13-17-33-66(55)71(67(58)42-60(63)69)49-36-34-44-18-4-6-22-47(44)38-49/h1-43,69H
InChIKeyYHQKVECWMJOMBF-UHFFFAOYSA-N
MW913.14 g/mol
LogP17.71
Rot. Bonds4

About 12,26-dinaphthalen-2-yl-16-(2-phenylphenyl)spiro[12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene-2,9'-fluorene]

12,26-dinaphthalen-2-yl-16-(2-phenylphenyl)spiro[12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene-2,9'-fluorene] (PubChem CID 134551646) has the molecular formula C70H44N2 and a molecular weight of 913.14 g/mol. Its IUPAC name is 12,26-dinaphthalen-2-yl-16-(2-phenylphenyl)spiro[12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene-2,9'-fluorene].

Molecular Properties

Compound Name12,26-dinaphthalen-2-yl-16-(2-phenylphenyl)spiro[12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene-2,9'-fluorene]
PubChem CID134551646
Molecular FormulaC70H44N2
Molecular Weight913.14 g/mol
Exact Mass912.35
IUPAC Name12,26-dinaphthalen-2-yl-16-(2-phenylphenyl)spiro[12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene-2,9'-fluorene]
SMILESc1ccc(-c2ccccc2C2c3cc4c(cc3C3(c5ccccc5-c5ccccc53)c3cc5c(cc32)c2ccccc2n5-c2ccc3ccccc3c2)c2ccccc2n4-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C70H44N2/c1-2-20-46(21-3-1)51-24-8-9-29-56(51)69-59-40-57-54-27-12-16-32-65(54)72(50-37-35-45-19-5-7-23-48(45)39-50)68(57)43-64(59)70(61-30-14-10-25-52(61)53-26-11-15-31-62(53)70)63-41-58-55-28-13-17-33-66(55)71(67(58)42-60(63)69)49-36-34-44-18-4-6-22-47(44)38-49/h1-43,69H
InChIKeyYHQKVECWMJOMBF-UHFFFAOYSA-N
XLogP17.71
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500913.14
LogP ≤ 517.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 12,26-dinaphthalen-2-yl-16-(2-phenylphenyl)spiro[12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene-2,9'-fluorene] with MolForge

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Related Compounds

CID 134551673
CID 134551673
5-naphthalen-2-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)-7,7-diphenylindeno[2,1-b]carbazole;5-naphthalen-2-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)-11,11-diphenylindeno[1,2-b]carbazole
CID 160877708
9-naphthalen-2-yl-3-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]carbazole
CID 130397941
CID 134551622
CID 134551622
3-methyl-9-naphthalen-2-ylcarbazole;3-methyl-9-phenylcarbazole;4'-methyl-9,9'-spirobi[fluorene]
CID 145345825
9-[7'-(9H-fluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole
CID 167069581
7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole
CID 122595613
9-naphthalen-2-yl-3-[(E)-2-[7'-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]carbazole
CID 59236373
9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 59782759
5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
CID 90337261
11-naphthalen-2-yl-5-(4-naphthalen-1-ylphenyl)indolo[3,2-b]carbazole
CID 167029703
15-(4-naphthalen-2-ylphenyl)-11,11,25-triphenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492473

Frequently Asked Questions

What is the IUPAC name of 12,26-dinaphthalen-2-yl-16-(2-phenylphenyl)spiro[12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene-2,9'-fluorene]?
The IUPAC name of 12,26-dinaphthalen-2-yl-16-(2-phenylphenyl)spiro[12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene-2,9'-fluorene] (CID 134551646) is 12,26-dinaphthalen-2-yl-16-(2-phenylphenyl)spiro[12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene-2,9'-fluorene].
What is the SMILES notation for 12,26-dinaphthalen-2-yl-16-(2-phenylphenyl)spiro[12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene-2,9'-fluorene]?
The canonical SMILES for 12,26-dinaphthalen-2-yl-16-(2-phenylphenyl)spiro[12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene-2,9'-fluorene] is c1ccc(-c2ccccc2C2c3cc4c(cc3C3(c5ccccc5-c5ccccc53)c3cc5c(cc32)c2ccccc2n5-c2ccc3ccccc3c2)c2ccccc2n4-c2ccc3ccccc3c2)cc1.
What is the InChIKey of 12,26-dinaphthalen-2-yl-16-(2-phenylphenyl)spiro[12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene-2,9'-fluorene]?
The InChIKey is YHQKVECWMJOMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H44N2/c1-2-20-46(21-3-1)51-24-8-9-29-56(51)69-59-40-57-54-27-12-16-32-65(54)72(50-37-35-45-19-5-7-23-48(45)39-50)68(57)43-64(59)70(61-30-14-10-25-52(61)53-26-11-15-31-62(53)70)63-41-58-55-28-13-17-33-66(55)71(67(58)42-60(63)69)49-36-34-44-18-4-6-22-47(44)38-49/h1-43,69H.
What are the key properties of 12,26-dinaphthalen-2-yl-16-(2-phenylphenyl)spiro[12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene-2,9'-fluorene]?
12,26-dinaphthalen-2-yl-16-(2-phenylphenyl)spiro[12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene-2,9'-fluorene] has a molecular weight of 913.14 g/mol, XLogP of 17.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12,26-dinaphthalen-2-yl-16-(2-phenylphenyl)spiro[12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1(17),3(15),4,6,8,10,13,18,20,22,24,27-dodecaene-2,9'-fluorene] is sourced from PubChem (CID 134551646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).